SIDS Initial Assessment Report For CoCAM 6 · 57-10-3 Hexadecanoic acid C16-H32-O2 C16: 256.43 506-12-7 Heptadecanoic acid C17-H34-O2 C17: 270.46 57-11-4 Octadecanoic acid C18-H36-O2

OECD SIDS ALIPHATIC ACIDS CATEGORY

1

SIDS Initial Assessment Report

For

CoCAM 6 Paris, France 30 September – 3 October 2014

1. Category Name: Aliphatic acids category

2. CAS Names and Number(s):

See Section 1.1

3. Sponsor: The Global ICCA Aliphatic Acids Consortium, consisting of the following companies: Akzo Nobel Surface Chemistry LLC Arizona Chemical Company Celanese Corporation Chemtura Corporation Cognis Deutschland GmbH Croda Chemicals Europe Ltd The Dial Corporation - A Henkel Company Eastman Chemical Company Evonik Goldschmidt Corporation Oleon N.V. The Procter and Gamble Company Tyco Healthcare/Mallinckrodt Contact: Kathleen Stanton Director, Technical and Regulatory Affairs American Cleaning Institute® 1331 L Street, NW, Suite 650 Washington, DC 20005 202.662.2513 [email protected]

4. Shared Partnership with: Italy

5. Review and Quality Check Process Prior to CoCAM:

Industry prepared the robust summary dossiers, SIAR and SIAP for review by Italy.

6. Date of Submission: [click here to insert text]

7. Date of Last Update: [click here to insert text]

8. Comments: Due to the data-rich nature of this category, only the key studies for each endpoint are described in detail; relevant details for the supporting studies are provided in the summary tables. Further, the data tables in Sections 3 and 4 contain only substances with valid data in order to reduce the length of the SIAR.

mailto:[email protected]


2

SIDS Initial Assessment Report

1 IDENTITY

1.1 Identification of the Substances

Table 1 contains the CAS No., IUPAC or CAS name, molecular and structural formula and molecular weight of the sponsored substances; Table 2 contains the synonyms.

Table 1. Chemical Identifiers for Sponsored Substances (1)

CAS No IUPAC or CAS Name Molecular Formula

Structural Formula Molecular Weight

Single component 124-07-2 Octanoic acid C8-H16-O2 C8:

144.22

112-05-0 Nonanoic acid C9-H18-O2 C9:

158.24

334-48-5 Decanoic acid C10-H20-O2 C10:

172.27

143-07-7 Dodecanoic acid C12-H24-O2 C12:

200.32

544-63-8 Tetradecanoic acid C14-H28-O2 C14:

228.38

57-10-3 Hexadecanoic acid C16-H32-O2 C16:

256.43

506-12-7 Heptadecanoic acid C17-H34-O2 C17:

270.46

57-11-4 Octadecanoic acid C18-H36-O2 C18:

284.49

30399-84-9 Isooctadecanoic acid C18-H36-O2 C18, methyl branched:

284.49

106-14-9 12-Hydroxyoctadecanoic acid; 12-hydroxy-octadecanoic acid

C18-H36-O3 C18, 1 hydroxyl group:

300.49

544-64-9 (Z)-Tetradec-9-enoic acid; 9-Tetradecenoic acid, (Z)-

C14-H26-O2 C14, 1 double bond:

226.36

2091-29-4 9-Hexadecenoic acid, (Z)- C16-H30-O2 C16, 1 double bond:

254.42


3

112-80-1 (Z)-Octadec-9-enoic acid; 9-Octadecenoic acid, (Z)-


282.47

60-33-3 (9Z,12Z)-Octadeca-9,12-dienoic acid; 9,12-

Octadecadienoic acid

C18-H32-O2 C18, 2 double bonds:

280.45

121250-47-3 (8E,12E)-octadeca-8,12-dienoic acid;

Octadecadienoic acid (Conjugated linoleic acid)

C18-H32-O2 C18, 2 adjacent double bonds:

280.45

112-86-7 (Z)-Docos-13-enoic acid; 13-Docosenoic acid, (Z)-


338.58

463-40-1 (9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid;

9,12,15-Octadecatrienoic acid, (Z,Z,Z)


278.44

Alkyl range sourced based (single or multi-component) 68603-84-9 Carboxylic acids, C5-9 Not applicable(2) C6-9

Not applicable (3)

68937-74-6 Fatty acids, C6-10 Not applicable C8-10:

Not applicable


Not applicable


Not applicable

67701-02-4 Fatty acids, C14-18 Not applicable C16-18 Not applicable


Not applicable


4

68937-76-8 Fatty acids, C16-20 Not applicable C18:

Not applicable

90990-11-7 Fatty acids, C18-22 Not applicable C22 Not applicable


Not applicable


Not applicable




67701-05-7 Fatty acids, C8-18 and C18-unsaturated

Not applicable C12-14, unsaturated Not applicable



68918-39-8 Soaps, stocks, C8-18 and C18 unsaturated alkyl, acidulated

Not applicable C12-14, unsaturated alkyl, acidulated

Not applicable

68334-03-2 Fatty acids, C12-20 and C12-20 unsaturated

Not applicable C14-18 and C14-18, unsaturated

Not applicable

68002-87-9 Fatty acids, C14-18 and C16-22-unsaturated



Not applicable C16-18, unsaturated:

Not applicable



67701-07-9 Fatty acids, C16 and C18-unsaturated


68648-24-8 Fatty acids, vegetable-oil, unsaturated

Not applicable C16-18, unsaturated

Not applicable

61790-37-2 Fatty acids, tallow Not applicable C16-18 Not applicable

68440-15-3 Fatty acids, palm-oil Not applicable C16-18 Not applicable

68308-53-2 Fatty acids, C14-18 and C16-18-unsaturated, sodium

salts

Not applicable C16-18, soya Not applicable

61789-45-5 Fatty acids, dehydrated castor-oil

Not applicable C18 Not applicable

61790-38-3 Fatty acids, tallow, hydrogenated

Not applicable C16-18, hydrogenated Not applicable

68937-85-9 Fatty acids, coco, heavy fractions

Not applicable C12-14 Not applicable

68938-15-8 Fatty acids, coco, hydrogenated

Not applicable C12-14, hydrogenated Not applicable

61788-47-4 Fatty acids, coco Not applicable C12-14 Not applicable

Dicarboxylic acids (single or multi-component)

68937-72-4 Carboxylic acids, di-, C4-11 Not applicable C6-9, dicarboxylic Not applicable


5

123-99-9 Nonanedioic acid C9-H16-O4 C9, dicarboxylic:

188.23

111-20-6 Decanedioic acid C10-H18-O4 C10, dicarboxylic:

202.25

68937-70-2 Carboxylic acids, C6-18 and C8-15 di-

Not applicable C9-18; C6-14, dicarboxylic:

Not applicable

Fatty acid distillation residues (multi-component)

72379-28-3 Fatty acids, tallow, hydrogenated, distillation

residues

Not applicable C6-26 (60-70%), hydrogenated; remainder triglycerides

Not applicable

70321-72-1 Fatty acids, C8-18 and C18 unsaturated, distillation

residues

Not applicable C6-26 (60-70%), unsaturated; remainder triglycerides

Not applicable

Sodium and potassium salts (single or multi-component) 1984-06-1 Sodium octanoate; Octanoic

acid, sodium salt C8-H16-O2.Na C8, sodium salt:

166.2

1002-62-6 Sodium decanoate; Decanoic acid, sodium salt

C10-H19-O2.Na C10, sodium salt:

194.25

629-25-4 Sodium dodecanoate; Dodecanoic acid, sodium salt


222.31

822-12-8 Sodium tetradecanoate; Tetradecanoic acid, sodium

salt


250.36

408-35-5 Sodium hexadecanoate; Hexadecanoic acid, sodium

salt


278.41

822-16-2 Sodium octadecanoate; Octadecanoic acid, sodium

salt

C18-H36-O2.Na C18, sodium salt: 306.47


6

67762-44-1 Fatty acids, C6-12, Na salts Not applicable C8-10, Na salts Not

applicable 91032-12-1 Fatty acids, C12-18, sodium

salts Not applicable C12-18, sodium salts Not

applicable 67701-11-5 Fatty acids, C14-18 and

C16-18-unsaturated, sodium salts

Not applicable C16-18, unsaturated, sodium salts Not applicable

61789-31-9 Fatty acids, coco, sodium salts

Not applicable C12-14, sodium salts Not applicable

68082-64-4 Fatty acids, vegetable-oil, sodium salts


8052-48-0 Fatty acids, tallow, sodium salts; Fatty acids, tallow,

sodium salts


61790-79-2 Fatty acids, palm-oil, sodium salts


67701-10-4 Fatty acids, C8-18 and C18-unsaturated, sodium salts

Not applicable C12-14, unsaturated, sodium salts Not applicable

68424-38-4 Fatty acids, C16-18, sodium salts


10124-65-9 Potassium dodecanoate, Dodecanoic acid, potassium

salt

C12-H23-O2.K C12, potassium salt:

238.41

143-18-0 Potassium (Z)-octadec-9-enoate; 9-Octadecenoic acid,

(Z)-, potassium salt

C18-H34-O2.K C18, 1 double bond, potassium salt:

320.56

67701-09-1 Fatty acids, C8-18 and C18-unsaturated, potassium salts

Not applicable C12-14, unsaturated, potassium salts Not applicable

68002-80-2 Fatty acids, C14-18 and C16-18-unsaturated,

potassium salts

Not applicable C14-18, unsaturated, potassium salts Not applicable

61789-30-8 Fatty acids, coco, potassium salts

Not applicable C12-14, potassium salts

Not applicable

Magnesium and calcium salts (single or multi-component) 557-04-0 Magnesium octadecanoate;

Octadecanoic acid, magnesium salt

C18-H36-O2.1/2Mg

C18, magnesium salt, di:

591.26

64755-01-7 Fatty acids, tallow, calcium salts

Not applicable C16-18, calcium salts Not applicable


7

542-42-7 Calcium hexadecanoate; Hexadecanoic acid, calcium

salt

C16-H32-O2.1/2Ca

C16, calcium salt

550.93

Ammonium salts (single component) 2437-23-2 Azanium dodecanoate;

Dodecanoic acid, ammonium salt

C12-H24-O2.H3-N

C12, ammonium salt:

217.35

1002-89-7 Azanium octadecanoate; Octadecanoic acid,

ammonium salt

C18-H36-O2.H3-N

C18, ammonium salt:

301.52

(1) All tables in the SIAR are organized according to general aliphatic acid structure. Specifically, by increasing carbon chain length, with any structure variations (e.g., unsaturated, dicarboxylic, double bonds, hydroxyls, salts) appearing after the corresponding base structure.

(2) Molecular formula not available for multi-component substances. (3) Molecular weights are provided for single chain length aliphatic acids. Aliphatic acid mixtures have molecular weights within the

carbon chain range provided.

Table 2. Synonyms for Sponsored Substances CAS Number IUPAC Name or CAS Name Synonyms

Single component

124-07-2 Octanoic acid Caprylic acid 112-05-0 Nonanoic acid Pelargonic acid 334-48-5 Decanoic acid; Decanoic acid Capric acid 143-07-7 Dodecanoic acid Lauric acid 544-63-8 Tetradecanoic acid; Tetradecanoic acid Myristic acid 57-10-3 Hexadecanoic acid Palmitic acid

506-12-7 Heptadecanoic acid Margaric acid; Margarinic acid; n-Heptadecanoic acid; n-Heptadecoic acid; n-Heptadecylic acid

57-11-4 Octadecanoic acid Stearic acid 30399-84-9 Isooctadecanoic acid 875D; Emersol 871; Emersol 875; Emery 871;

Emery 875D; Haimaric MKH(R); Isostearic acid; Isostearic acid EX; Prisorine 3501; Prisorine 3502;

Prisorine 3508; Unimac 5680 106-14-9 12-Hydroxyoctadecanoic acid; 12-hydroxy-

octadecanoic acid 12-Hydroxystearic acid

544-64-9 (Z)-Tetradec-9-enoic acid; 9-Tetradecenoic acid, (Z)-

9-Tetradecenoic acid; Myristoleic acid; (Z)-Tetradec-9-enoic acid; 9-Tetradecenoic acid, (9Z)-

2091-29-4 9-Hexadecenoic acid, (Z)- Palmitoleic acid 112-80-1 (Z)-Octadec-9-enoic acid; 9-Octadecenoic acid,

(Z)- Oleic acid

60-33-3 (9Z,12Z)-Octadeca-9,12-dienoic acid; 9,12-Octadecadienoic acid

Linoleic acid

121250-47-3 (8E,12E)-octadeca-8,12-dienoic acid; Octadecadienoic acid (Conjugated linoleic acid)

Conjugated linoleic acid

112-86-7 (Z)-Docos-13-enoic acid; 13-Docosenoic acid, (Z)-

Erucic acid

463-40-1 (9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid; 9,12,15-Octadecatrienoic acid, (Z,Z,Z)

Linolenic acid

Alkyl ranges and sourced based 68603-84-9 Carboxylic acids, C5-9 (C5-C9) Monobasic acids 68937-74-6 Fatty acids, C6-10 No data located 67762-36-1 Fatty acids, C6-12 (C6-C12) Alkylcarboxylic acid; (C6-

C12)Alkylcarboxylic acid; 68937-75-7 Fatty acids, C8-10 No data located 67701-02-4 Fatty acids, C14-18 (C14-C18) Alkylcarboxylic acid; (C14-

C18)Alkylcarboxylic acid; Light end (C14-C18) saturated fatty acid fraction from tallow fatty

acids;


8

67701-03-5 Fatty acids, C16-18 (C16-C18) Alkylcarboxylic acid; C16-C18)Alkylcarboxylic acid

68937-76-8 Fatty acids, C16-20 No data located 90990-11-7 Fatty acids, C18-22 No data located 68424-37-3 Fatty acids, C14-22 C14-C22 Fatty acid residue 68002-90-4 Fatty acids, C10-16 (C10-C16) Carboxylic acid; (C10-

C16)Alkylcarboxylic acid; 90990-10-6 Fatty acids, C12-14 No data located 90990-08-2 Fatty acids, C8-18 No data located 67701-01-3 Fatty acids, C12-18 (C12-C18) Alkyl carboxylic acid; (C12-C18)

Alkylcarboxylic acid; (C12-C18)Alkyl carboxylic acid; (C12-C18)Alkylcarboxylic acid

67701-05-7 Fatty acids, C8-18 and C18-unsaturated; CAS (C8-C18) and (C18) Unsaturated alkylcarboxylic acid; (C8-C18) and C18 Unsaturated

alkylcarboxylic acid; C8-18 and C18-Unsatd. fatty acids;

90990-15-1 Fatty acids, C12-18 and C18-unsaturated No data located 68918-39-8 Soaps, stocks, C8-18 and C18 unsaturated

alkyl, acidulated (C8-C18) and (C18) Unsaturated trialkyl glyceride,

acidulated soapstock

68334-03-2 Fatty acids, C12-20 and C12-20 unsaturated (C12-C20)Saturated and unsaturated monobasic fatty acids

68002-87-9 Fatty acids, C14-18 and C16-22-unsaturated (C14-C18) and (C16-C22)Unsaturated alkyl carboxylic acid

67701-06-8 Fatty acids, C14-18 and C16-18-unsaturated (C14-C18) and (C16-C18) Alkylcarboxylic acid; (C14-C18) and (C16-C18) Unsaturated

alkylcarboxylic acid; (C14-C18) and (C16-C18)-Unsaturated alkylcarboxylic acid; (C14-C18) and

(C16-C18)Unsaturated alkyl carboxylic acid; C14-C18 And C16-C18 alkylcarboxylic acid

67701-08-0 Fatty acids, C16-18 and C18-unsaturated (C16-C18) and (C18) Unsaturated alkylcarboxylic acid; C16-C18) and (C18)-Unsaturated alkylcarboxylic acid; (C16-C18) and

(C18)Unsaturated alkylcarboxylic acid; (C16-C18) and C18 Unsaturated alkylcarboxylic acid

67701-07-9 Fatty acids, C16 and C18-unsaturated C16 and C18 Unsaturated alkylcarboxylic acid 68648-24-8 Fatty acids, vegetable-oil, unsaturated Vegetable oil fatty acids, unsaturated 61790-37-2 Fatty acids, tallow Acids, tallow; Tallow acid; Tallow fatty acid 68440-15-3 Fatty acids, palm-oil Palm oil fatty acids 68308-53-2 Fatty acids, C14-18 and C16-18-unsaturated,

sodium salts Acids, soy; Fatty acids, soya; Soy acid; Soya fatty acids; Soya fatty acids, mixed; Soybean oil fatty

acids 61789-45-5 Fatty acids, dehydrated castor-oil No data located 61790-38-3 Fatty acids, tallow, hydrogenated Acids, tallow, hydrogenated; Hydrogenated tallow

acid; Tallow acid, hydrogenated; Tallow fatty acids,

hydrogenated 68937-85-9 Fatty acids, coco, heavy fractions Topped coconut oil fatty acids 68938-15-8 Fatty acids, coco, hydrogenated Acids, coconut, hydrogenated; Coconut acid,

hydrogenated; Fatty acids, coco, hydrogenated; Hydrogenated coconut acid; Coconut oil fatty acids,

hydrogenated; Hydrogenated coco fatty acids 61788-47-4 Fatty acids, coco Acids, coconut; Coco fatty acid; Coconut acid;

Coconut fatty acids; Coconut oil acids; Coco fatty acids; Coconut oil fatty acids

Dicarboxylic acids 68937-72-4 Carboxylic acids, di-, C4-11 No data located

123-99-9 Nonanedioic acid Azeleic acid 111-20-6 Decanedioic acid; Decanedioic acid Sebacic acid

68937-70-2 Carboxylic acids, C6-18 and C8-15 di- No data located Fatty acid distillation residues

72379-28-3 Fatty acids, tallow, hydrogenated, distillation residues

Hard tallow pitch; Tallow fatty acids, hydrogenated, by-product acids from, distillation residue

70321-72-1 Fatty acids, C8-18 and C18 unsaturated, distillation residues

No data located


9

Sodium and potassium salts 1984-06-1 Sodium octanoate; Octanoic acid, sodium salt Sodium caprylate 1002-62-6 Sodium decanoate; Decanoic acid, sodium salt Sodium caprate 629-25-4 Sodium dodecanoate; Dodecanoic acid, sodium

salt Sodium decanoate

822-12-8 Sodium tetradecanoate; Tetradecanoic acid, sodium salt

Sodium myristate

408-35-5 Sodium hexadecanoate; Hexadecanoic acid, sodium salt

Sodium palmitate

822-16-2 Sodium octadecanoate; Octadecanoic acid, sodium salt

Sodium stearate

67762-44-1 Fatty acids, C6-12, Na salts (C6-C12) Alkylcarboxylic acid sodium salt; 91032-12-1 Fatty acids, C12-18, sodium salts No data located 67701-11-5 Fatty acids, C14-18 and C16-18-unsaturated,

sodium salts (C14-C18) And (C16-C18)Unsaturated

alkylcarboxylic acid, sodium salt; (C14-C18) and (C16-C18) Unsaturated alkylcarboxylic acid,

sodium salt; (C14-C18) and (C16-C18) Unsaturated alkylcarboxylic acid, sodium salt; C14-C18 And

C16-C18 Unsaturated alkylcarboxylic acid, sodium salt; C14-C18 And C16-C18 unsaturated alkyl

carboxylic acid, sodium salt 61789-31-9 Fatty acids, coco, sodium salts Fatty acids, coconut oil, sodium salts; Sodium

cocoate; Coco fatty acids sodium salts; Coconut fatty acid, sodium salt; Coconut oil fatty acids,

sodium salt; Soap, coconut oil 68082-64-4 Fatty acids, vegetable-oil, sodium salts Mixed vegetable fatty acids, sodium salts; Mixed

vegetable oil acids, sodium salt; Mixed vegetable oil fatty acids, sodium salt; Neutral soapstock;

Sodium vegetable soap; Vegetable oil fatty acids, sodium salt

8052-48-0 Fatty acids, tallow, sodium salts Sodium tallowate; Tallow, sodium salt; Sodium tallowate; Tallow fatty acids sodium salts; Tallow

fatty acids, sodium salt; Tallow, sodium salt; Sodium tallow soap

61790-79-2 Fatty acids, palm-oil, sodium salts No data located 67701-10-4 Fatty acids, C8-18 and C18-unsaturated,

sodium salts (C8-C18) and (C18) Unsaturated alkylcarboxylic

acid sodium salt; (C8-C18) and (C18) Unsaturated alkylcarboxylic acid, sodium salt; (C8-C18) and (C18)-Unsaturated alkylcarboxylic acid sodium

salt; (C8-C18) and C18, unsaturated alkylcarboxylic acid, sodium salt; (C8-C18) and C18 Unsaturated alkylcarboxylic acid, sodium salt; C8-18 and C18-Unsaturated fatty acids sodium salts; C8-C18 And

C18 Unsaturated alkyl carboxylic acid, sodium salt; C8-C18 And C18 Unsaturated alkylcarboxylic acid,

sodium salt; Soap: (Fatty acids, C8-18 and C18-unsatd., sodium salts)

68424-38-4 Fatty acids, C16-18, sodium salts (C16-C18)Alkylcarboxylic acid, sodium salt 10124-65-9 Potassium dodecanoate, Dodecanoic acid,

potassium salt Potassium laurate

143-18-0 Potassium (Z)-octadec-9-enoate; 9-Octadecenoic acid, (Z)-, potassium salt

Potassium oleate

67701-09-1 Fatty acids, C8-18 and C18-unsaturated, potassium salts

(C8-C18 and C18) Unsaturated alkyl carboxylic acid, potassium salt; (C8-C18) and (C18)

Unsaturated alkylcarboxylic acid potassium salt; (C8-C18) and (C18) Unsaturated alkylcarboxylic

acid, potassium salt; (C8-C18) and C18 Unsaturated alkylcarboxylic acid, potassium salt; C8-18 and

C18-Unsaturated fatty acids potassium salts; C8-C18 And C18 Unsaturated alkyl carboxylic acid potassium salt; C8-C18 And C18 Unsaturated

alkylcarboxylic acid, potassium salt; Potassium salts of fatty acids (C8-18 and C18 unsatd.)

68002-80-2 Fatty acids, C14-18 and C16-18-unsaturated, potassium salts

(C14-C18) and (C16-C18) Unsaturated alkylcarboxylic acid, potassium

salt; C14-C18 And C16-C18 unsaturated alkylcarboxylic acid potassium salts


10

61789-30-8 Fatty acids, coco, potassium salts Fatty acids, coconut oil, potassium salts; Potassium cocoate; Coco fatty acids potassium salts; Coconut Oil potassium soap; Coconut fatty acid, potassium salt; Coconut fatty acids, potassium salt; Coconut oil acids, potassium salt; Coconut oil fatty acid,

potassium salt; Coconut oil fatty acids, potassium salt; Coconut oil, potassium salts; Coconut oil, potassium salt; Potassium coconut soap; Soap,

potassium coconut; Cocoa fatty acids, potassium salts; Potassium coconut oil soap

Magnesium and calcium salts 557-04-0 Magnesium octadecanoate; Octadecanoic acid,

magnesium salt Magnesium distearate

64755-01-7 Fatty acids, tallow, calcium salts Tallow acids, calcium salt; Tallow fatty acid, calcium soap; Tallow fatty acids, calcium salt

542-42-7 Calcium hexadecanoate; Hexadecanoic acid, calcium salt

Calcium dipalmitate

Ammonium salts 2437-23-2 Azanium dodecanoate; Dodecanoic acid,

ammonium salt Ammonium laurate

1002-89-7 Azanium octadecanoate; Octadecanoic acid, ammonium salt

Ammonium stearate

1.2 Purity/Impurities/Additives

The sponsored aliphatic acids are high purity materials (greater than 99%; Dieckelmann and Heinz, 1988). The most common impurities are other aliphatic acids. There are no additives in the aliphatic acids.

1.3 Physical-Chemical Properties

A summary of the physical-chemical properties for the substances is presented in Table 3. The multi-component substances, by definition, have a range of components, which could have a significant influence on the physical-chemical property values. As such, it is not possible to estimate these values with confidence. These mixtures can be characterized by a range of values defined by the shortest and longest homologue present, and in these cases, the representative chain lengths are specified within Table 3 rather than a value.


11

Table 3 Summary of Physical-Chemical Properties1


12

Name and CAS Number

Melting Point (ºC)

Boiling Point

(ºC at 1013 hPa)

Density (g/cm3

at 25ºC)

Vapor Pressure (hPa at 25ºC)

Partition coefficient

Water Solubility (mg/L at

25ºC)

Henry’s Law

Constant (Pa-

m3/mole) Single component

Octanoic acid; 124-07-2

16.3 (measured, Epi EDB)

239 (measured, Epi EDB)

0.91 at 20 °C (method not specified; Budavari et al., 1996)

4.95E-03 (measured, Daubert and Danner, 1995)


789 at 30°C (measured, Yalkowsky and Dannenfelser, 1992)

9.04 E-2 (measured, Epi EDB)

Nonanoic acid; 112-05-0 12.3 (measured, Epi EDB)


0.91 at 20ºC (method not specified; Lide, 1994)


3.42 (measured, Sangster, 1993)

284 at 20°C (measured, Riddick et al., 1986)

Bond: 0.403; Group: 0.334 (modeled)

Decanoic acid; 334-48-5




4.88E-04 (measured, Baccanaari et al., 1968)

4.09 (measured, Hansch et al., 1995)

61.8 (measured, Yalkowsky and Dannenfelser, 1992)


Dodecanoic acid; 143-07-7




2.13E-05 (measured, Yaws, 1994)


4.81 (Yalkowsky and Dannenselser, 1992)


Tetradecanoic acid; 544-63-8



0.86 at 54ºC (method not specified;

Lide, 1994)



1.07 (measured, Yalkowsky and Dannenfelser, 1992)

5.02E-02 (measured, Epi EDB)

Hexadecanoic acid; 57-10-3 61.8 (measured, Epi EDB)



5.07 E-07 (measured, Daubert and Danner, 1989)


0.04 (measured, Robb, 1966)


Heptadecanoic acid; 506-12-7



No data located

8.31E-08 (measured, Epi EDB, Chattopadhyay et al., 2001)

7.45 (modeled)

0.0195 (modeled)

Bond : 3.89; Group: 5.30 (modeled)

Octadecanoic acid; 57-11-4





8.23 (measured, Epi EDB, Sangster, 1993)

0.597 (Measured, Yalkowsky and He, 2003)



13

Isooctadecanoic acid; 30399-84-9

10 (solidification point, measured; Proserpio, 1974)

375.05 (modeled)

No data located

4.45 E-06 (modeled)

7.9 (modeled)

0.007 (modeled)


12-hydroxy-octadecanoic acid; 106-14-9

152.85 (modeled)

414.8 (modeled)

No data located

4.51 E-09 (modeled)

6.41 (modeled)

0.3315 (modeled)

Bond : 1.89E-04; Group: 1.43E-04 (modeled)

9-Tetradecenoic acid, (Z)-; 544-64-9

99.5 (modeled)

339.0 (modeled)

No data located

6.03E-05 (modeled)

5.8 (modeled)

0.94 (modeled)


9-Hexadecenoic acid, (Z)-; 2091-29-4

116.1 (modeled)

362.4 (modeled)

No data located

8.92 E-05 (modeled)

6.6 (measured; Sangster, 1994)

0.13 (modeled)


9-Octadecenoic acid, (Z)-; 112-80-1 (20)



0.89 at 20oC (method not specified; Lide, 1994)

7.28E-07 (measured, Epi EDB, Daubert and Danner, 1989)


0.01151 (modeled)


9,12-Octadecadienoic acid; 60-33-3 (21)

-8.5 (measured, Epi EDB)


0.902 at 20oC (method not specified; Lide, 1994)



0.03771 (modeled)


Octadecadienoic acid (Conjugated linoleic acid); 121250-47-3 (22)

132.4 (modeled)

389.2 (modeled)

No data located

7.65 E-05 (modeled)

7.51 (modeled)

0.0377 (modeled)


13-Docosenoic acid, (Z)-; 112-86-7


432.03 (modeled)

No data located

1.53E-06 (modeled)

9.69 (modeled)

9.491E-05 (modeled)


9,12,15-Octadecatrienoic acid, (Z,Z,Z); 463-40-1 (23)

-16.5 (measured, Epi EDB)

231 at 22.7 hPa (measured, Epi EDB)

No data located

7.20E-07 (measured, Epi EDB, Daubert and Danner, 1993)


0.124 (modeled)


Alkyl ranges and source based

Carboxylic acids, C5-9; 68603-84-9

-3 (measured, Epi EDB)


No data located

0.058 (measured, Daubert and Danner, 1989)


1.03E+04 (measured, Yalkowsky and He, 2003)

0.0768 (measured, Khan and Brimblecombe, 1992)


14

Fatty acids, C6-10; 68937-74-6

C6 -3 - C10 31.9 (measured, Epi EDB)

C6 205.2 - C10 268.7 (measured, Epi EDB)

C6 (no data located) - C10 0.89 at 40ºC (method not specified; Lide, 1994)

C6 0.058 (measured, Daubert and Danner, 1989) - C10 4.88E-04 (measured, Baccanari et al., 1968)

C6 1.92 (measured, Hansch et al., 1995) - C10 4.09 (measured, Epi EDB)

C6 1.03E+04 (measured, Yalkowsky and He, 2003) - C10 61.8 (measured, Yalkowsky and Dannenfelser, 1992)

C6 0.0768 (measured, Khan and Brimblecombe, 1992) - C10 0.0136 (measured, Epi EDB)

Fatty acids, C6-12; 67762-36-1

C6 -3 - C12 43.2 (measured, Epi EDB)


C6 (no data located) – C12 0.87 at 50ºC (method not specified; Lide, 1994)

C6 5.8E-02 (measured, Daubert and Danner, 1989) - C12 2.13E-05 (measured, Yaws, 1994)

C6 1.92 (measured, Hansch et al., 1995)- C12 4.60 (measured, Sangster, 1993)

C6 1.03E04 (measured, Yalkowsky and He, 2003)- C12 4.81 (measured, Yalkowsky and Dannenfelser, 1992)

C6 0.0768 (measured, Khan and Brimblecombe, 1992) - C12 Bond: 0.944; Group: 0.942 (modeled)

Fatty acids, C8-10; 68937-75-7


C8 239 - C10 268.7 (measured, Epi EDB)

C8 0.91 at 20 °C (method not specified; Budavari et al., 1996) – C10 0.89 at 40ºC (method not specified; Lide, 1994)

C8 4.95E-03 (measured, Daubert and Danner, 1995)- C10 4.88E-04 (measured, Baccanari et al., 1968)


C8 789 at 30° -C10 61.8 (measured, Yalkowsky and Dannenfelser, 1992)

C8 9.04E-02 - C10 0.136 (measured, Epi EDB)

Fatty acids, C14-18; 67701-02-4

C14 53.9 -C18 69.3 (measured, Epi EDB)

C14 326.2 - C18 383 (measured, Epi EDB)

C14 0.86 at 54ºC - C18 0.94 at 20ºC (method not specified; Lide, 1994)

C14 1.87E-06 (measured, Daubert and Danner, 1995)-C18 9.63E-07 (measured, Daubert and Danner, 1989)

C14 6.11 -C18 8.23 (measured, Sangster, 1993)

C14 1.07 - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992)

C14 5.02E-02 - C18 4.82E-02 (measured, Epi EDB)

Fatty acids, C16-18; 67701-03-5




C16 5.07E-07 - C18 9.63E-07 (measured, Daubert and Danner, 1989)

C16 7.17 - C18 8.23 (measured, Sangster, 1993)

C16 0.04 (measured, Robb, 1966) - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992)

C16 2.03 - C18 4.82E-02 (measured, Epi EDB)


15

Fatty acids, C16-20; 68937-76-8



C16 0.84 at 62ºC (method not specified; Lide, 1994) – C20 no data located

C16 5.07E-05 (measured, Daubert and Danner, 1989)- C20 2.41E-09 (measured, Daubert and Danner, 1993)


C16 0.04 (measured, Robb, 1966) - C20 3E-04 (modeled)

C16 2.03 (measured, Epi EDB) - C20 9.1 Bond; 1.49E+01 Group (modeled)

Fatty acids, C18-22; 90990-11-7


C18 383 - C22 306 at 80 hPa (measured, pi EDB)

C18 0.94 at 20ºC (method not specified; Lide, 1994) – C22 no data located

C18 9.63E-07 (measured, Daubert and Danner, 1989)- C22 6.52E-07 (modeled)

C18 8.23 (measured, Epi EDB)- C22 9.91 (modeled)

C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992) - C22 0.016 (modeled)

C18 4.82E-02 (measured, Epi EDB) -C22 16 Bond; 29.8 Group (modeled)

Fatty acids, C14-22; 68424-37-3


C14 326.2 - C22 306 at 80 hPa (measured, Epi EDB)

C14 0.86 at 54ºC (method not specified;

Lide, 1994) – C22 no data located

C14 1.87E-06 (measured, Daubert and Danner, 1995)- C22 6.52E-07 (modeled)


C14 1.07 (measured, Yalkowsky and Dannenfelser, 1992) - C22 0.016 (modeled)

C14 5.02E-02(measured, Epi EDB)- C22 1.60E+01 Bond; 2.98E+01 Group (modeled)

Fatty acids, C10-16; 68002-90-4



C10 0.89 at 40ºC -C16 0.84 at 62ºC (method not specified; Lide, 1994)

C10 4.88E-04 (measured, Baccanari et al., 1968) - C16 5.07E-07 (measured, Daubert and Danner, 1989)

C10 4.09 (measured, Epi EDB) - C16 7.17 (measured, Sangster, 1993)

C10 61.8 (measured, Yalkowsky and Dannenfelser, 1992) - C16 0.04 (measured, Robb, 1966)


Fatty acids, C12-14; 90990-10-6



C12 0.87 at 50ºC – C14 0.86 at 54ºC (method not specified;

Lide, 1994)

C12 2.13E-05 (measured, Yaws, 1994) - C14 1.87E-06 (measured, Daubert and Danner, 1995)



C12 Bond: 0.944; Group: 0.942 (modeled) C14 5.02E-02 (measured, Epi EDB)

Fatty acids, C8-18; 90990-08-2


C8 239 - C18 383 (measured, Epi EDB)

C8 0.91 at 20 °C (method not specified; Budavari et al., 1996) – C18 0.94 at 20ºC (method not specified; Lide, 1994)


C8 3.05 (measured, Epi EDB)- C18 8.23 (measured, Sangster, 1993)

C8 789 at 30° - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992)



16

Fatty acids, C12-18; 67701-01-3



C12 0.87 at 50ºC – C18 0.94 at 20ºC (method not specified; Lide, 1994)

C12 2.13E-05 (measured, Yaws, 1994) - C18 9.63E-07 (measured, Daubert and Danner, 1989)



C12 Bond: 0.944; Group: 0.942 (modeled)- C18 4.82E-02 (measured, Epi EDB)

Fatty acids, C8-18 and C18-unsaturated; 67701-05-7(5)

C8 16.3 - C18 69.3 (Epi EDB) C18:1 13.4 (Epi EDB) C18:2a -8.5 (Epi EDB) C18:2b 132.4 (modeled) C18:3 -16.5 (Epi EDB)

C8 239 - C18 383 (Epi EDB) C18:1 360 (Epi EDB) C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled) C18:3 231 at 22.7 hPa (measured, Epi EDB)

C8 0.91 at 20 °C (method not specified; Budavari et al., 1996)- C18 0.94 at 20ºC, C18:1 0.89 at 20oC , C18:2a 0.902 at 20oC (method not specified; Lide, 1994) C18:2b, C18:3 no data located

C8 4.95E-03 (measured, Daubert and Danner, 1995)- C18 9.63E-07 (measured, Daubert and Danner, 1989) C18:1 1.87E-06 (Perry, 1984), C18:2a 1.16E-06 C18:2b 1.16E-06 (measured, Daubert and Danner, 1991), C18:3 7.20E-07 (Daubert and Danner, 1993)

C8 3.05 (measured, Epi EDB)- C18 8.23 C18:1 7.64 C18:2a 7.05 C18:2b 7.05 C18:3 6.46 (measured, Sangster, 1993)

C8 789 at 30° - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992) C18:1 0.0115 C18:2a 0.0377 C18:2b 0.0377 C18:3 0.124 (modeled)

C8 9.04E-02 - C18 4.82E-02 (measured, Epi EDB), C18:1 4.5 Bond; 1.97 Group C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group C18:3 3.51Bond; 1.36E-01 Group (modeled)

Fatty acids, C12-18 and C18-unsaturated; CS 90990-15-1(5)

C12 43.2 - C18 69.3 C18:1 13.4 C18:2 252.4 C18:2a -8.5 (measured, Epi EDB), C18:2b 132.4 (modeled) C18:3 -16.5 (measured, Epi EDB)

C12 298.8 - C18 383 C18:1 360 C18:2 585.2 C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled) C18:3 231 at 22.7 hPa (measured, Epi EDB)

C12 C12 0.87 at 50ºC ) -C18 0.94 at 20ºC , C18:1 0.89 at 20oC, C18:2a 0.902 at 20oC (method not specified; Lide, 1994) C18:2, C18:2b, C18:3 no data located

C12 2.13E-05 (measured, Yaws, 1994) - C18 9.63E-07 (measured, Daubert and Danner, 1989) C18:1 1.87E-06 (Perry, 1984), C18:2 8.01E-13, C18:2a 1.16E-06 C18:2b 1.16E-06 (measured, Daubert and Danner, 1991), C18:3 7.20E-07 (measured, Daubert and Danner, 1993)

C12 4.60 - C18 8.23 C18:1 7.64 C18:2 7.64 C18:2a 7.05 C18:2b 7.05 C18:3 6.46 (measured, Sangster, 1993)

C12 4.81 - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992) C18:1 0.0115 C18:2 8.17 C18:2a 0.0377 C18:2b 0.0377 C18:3 0.124 (modeled)

C12 0.944 Bond; 0.942 Group (modeled) - C18 4.82E-02 (measured, Epi EDB) C18:1 4.5 Bond; 1.97 Group C18:2 4.00 Bond; Group incomplete C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group C18:3 3.51 Bond; 1.36E-01 Group (modeled)


17

Soaps, stocks, C8-18 and C18 unsaturated alkyl, acidulated; 68918-39-8 (15)

C8 16.3 - C18 69.3 C18:1 13.4 C18:2a -8.5 (measured, Epi EDB), C18:2b 132.4 (modeled) C18:3 -16.5 (measured, Epi EDB)

C8 239 - C18 383 C18:1 360 C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled) C18:3 231 at 22.7 hPa (measured, Epi EDB)

C8 0.91 at 20 °C (method not specified; Budavari et al., 1996)-C18 0.94 at 20ºC , C18:1 0.89 at 20oC , C18:2a 0.902 at 20oC (method not specified; Lide, 1994) C18:2b, C18:3 no data located

C8 4.95E-03 (measured, Daubert and Danner, 1995)- C18 9.63E-07 (measured, Daubert and Danner, 1989) C18:1 1.87E-06 (Perry, 1984), C18:2a 1.16E-06 C18:2b 1.16E-06 (measured, Daubert and Danner, 1991), C18:3 7.20E-07 (Daubert and Danner, 1993)

C8 3.05 (measured, Epi EDB)- C18 8.23 C18:1 7.64 C18:2a 7.05 C18:2b 7.05 C18:3 6.46 (measured, Sangster, 1993)

C8 789 at 30° - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992) C18:1 0.0115 C18:2a 0.0377 C18:2b 0.0377 C18:3 0.124 (modeled)

C8 9.04E-02 - C18 4.82E-02 (measured, Epi EDB), C18:1 4.5 Bond; 1.97 Group C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group C18:3 3.51 Bond; 1.36E-01 Group (modeled)

Fatty acids, C12-20 and C12-20 unsaturated; 68334-03-2 (5)

C12 43.2 - C20 75.4 (measured, Epi EDB), C12: 1 88.3 (modeled)- C20:1 23 (measured, Epi EDB)

C12 298.8 - C20 328 (measured, Epi EDB), C12:1 313.1 - C20:1 408.8 (modeled)

C12 0.87 at 50ºC (method not specified; Lide, 1994) ; C18:1 0.89 at 20oC; C18:2a 0.90 at 20oC; C20 no data located

C12 2.13E-05 (measured, Yaws, 1994) - C20 2.41E-09 (measured, Daubert and Danner (1993) C12:10.0318 - C20:1 6.76E-06 (modeled)

C12 4.60 - C20 9.29 (measured, Sangster, 1993) C12:1 4.78 - C20:1 8.71 (modeled)

C12 4.81 (measured, Yalkowsky and Dannenfelser, 1992)- C20 3E-04 (modeled) C12:1 9.12 - C20:1 9.611E-04 (modeled)

C12 0.944 Bond; 0.942 Group (modeled)- C20:1 8.01 Bond; 3.93 Group (modeled)

Fatty acids, C14-18 and C16-22-unsaturated; 68002-87-9 (8)

C14 53.9 - C22:1 33.5 (measured, Epi EDB)

C14 326.2 (measured, Epi EDB) – C22:1 432 (modeled)

C14 0.86 at 54ºC - C22:1 0.86 at 55ºC (2) (method not specified; Lide, 1994)

C14 1.87E-06 (measured, Daubert and Danner, 1995)- C22:1 1.53E-06 (modeled)

C14 6.11 (measured, Epi EDB)- C22:1 9.69 (modeled)

C14 1.07 (measured, Yalkowsky and Dannenfelser, 1992) - C22:1 9.491E-05(modeled)

C14 5.02E-02 (measured, Epi EDB)- C22:1 Bond : 14.1; Group: 7.84 (modeled)


18

Fatty acids, C14-18 and C16-18-unsaturated; 67701-06-8 (8)

C14 53.9 - C18:1 13.4 C18:2a -8.5 (measured, Epi EDB), C18:2b 132.4 (modeled) C18:3 -16.5 (measured, Epi EDB)

C14 326.2 - C18:1 360 C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled) C18:3 231 at 22.7 hPa (measured, Epi EDB)

C14 0.86 at 54ºC - C18 0.94 C18:1 0.89 at 20oC , C18:2a 0.902 at 20oC (method not specified; Lide, 1994) C18:2b C18:3 no data located

C14 1.87E-06 (measured, Daubert and Danner, 1995)- C18 9.63E-07 (measured, Daubert and Danner, 1989) C18:1 1.87E-06 (measured, Perry, 1984), C18:2a 1.16E-06 C18:2b 1.16E-06 (measured, Daubert and Danner, 1991), C18:3 7.20E-07 (measured, Daubert and Danner, 1993)

C14 6.11 - C18:1 7.64 C18:2a 7.05 C18:2b 7.05 C18:3 6.46 (measured, Sangster, 1993)

C14 1.07 - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992), C18:1 0.0115 C18:2a 0.0377 C18:2b 0.0377 C18:3 0.124 (modeled)

C14 5.02E-02 (measured, Epi EDB) - C18:1 4.5 Bond; 1.97 Group C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group C18:3 3.51 Bond; 1.36E-01 Group (modeled)

Fatty acids, C16-18 and C18-unsaturated; 67701-08-0 (8)

C16 61.8 - C18 69.3 C18:1 13.4 C18:2a -8.5 (measured, Epi EDB), C18:2b 132.4 (modeled) C18:3 -16.5 (measured, Epi EDB)

C16 351.5 - C18 383 C18:1 360 C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled) C18:3 231 at 22.7 hPa (measured, Epi EDB)

C16 0.84 at 62ºC - C18 0.94 at 20ºC, C18:1 0.89 at 20oC , C18:2a 0.902 at 20oC (method not specified; Lide, 1994) C18:2b, C18:3 no data located

C16 5.07E-07 - C18 9.63E-07 (measured, Daubert and Danner, 1989) C18:1 1.87E-06 (measured, Perry, 1984), C18:2a 1.16E-06 C18:2b 1.16E-06 (measured, Daubert and Danner, 1991) C18:3 7.20E-07 (measured, Daubert and Danner, 1993)

C16 7.17 - C18 8.23 C18:1 7.64 C18:2a 7.05 C18:2b 7.05 C18:3 6.46 (measured, Sangster, 1993)

C16 0.04 (Measured, Robb, 1966) - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992), C18:1 0.0115 C18:2a 0.0377 C18:2b 0.0377 C18:3 0.124 (modeled)

C16 2.03 - C18 4.82E-02 (measured, Epi EDB), C18:1 4.54 Bond; 1.97 Group C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group C18:3 3.51 Bond; 1.36E-01 Group (modeled)

Fatty acids, C16 and C18-unsaturated; 67701-07-9 (8)

C16 61.8 - C18:1 13.4 C18:2a -8.5 (measured, Epi EDB) C18:2b 132.4 (modeled) C18:3 -16.5 (measured, Epi EDB)

C16 351.5 - C18:1 360 C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled) C18:3 231 at 22.7 hPa (measured, Epi EDB)

C16 0.84 at 62ºC - C18:1 0.89 at 20oC, C18:2a 0.902 at 20oC (method not specified; Lide, 1994) C18:2b, C18:3 no data located

C16 5.07E-07 (measured, Daubert and Danner, 1989)- C18:1 1.87E-06 (measured, Perry, 1984), C18:2a 1.16E-06 C18:2b 1.16E-06 (measured, Daubert and Danner, 1991), C18:3 7.20E-07 (Daubert and Danner, 1993)


C16 0.04 (measured, Robb, 1966) - C18:1 0.0115 C18:2a 0.0377 C18:2b 0.0377 C18:3 0.124 (modeled)

C16 2.03 (measured, Epi EDB) - C18:1 4.5 Bond; 1.97 Group C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group C18:3 3.51 Bond; 1.36E-01 Group (modeled)


19

Fatty acids, vegetable-oil, unsaturated; 68648-24-8 (8)

C12: 1 88.3 (modeled)- C20:1 23 (measured, Epi EDB)

C12:1 313.1 - C20:1 408.8 (modeled)

No data located except for C18:1 0.89 at 20oC C18:2a 0.902 at 20oC

C12:1 3.18E-04 - C20:1 6.76E-06 (modeled)

C12:1 4.78 - C20:1 8.71 (modeled)

C12:1 9.12 - C20:1 9.61 E-04 (modeled)

C12:1 8.30E-01 Bond; 2.48E-01 Group- C20:1 8.01 Bond; 3.93 Group (modeled)

Fatty acids, tallow; 61790-37-2 (16)


C14 326.2 - C18 383 (measured, Epi EDB) C16:1 362.41 (modeled), C18:1 360 C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled) C18:3 231 at 22.7 hPa (measured, Epi EDB)

C14 0.86 at 54ºC - C18 0.94 at 20ºC, C18:1 0.89 at 20oC (method not specified; Lide, 1994), C18:2a 0.902 at 20oC (method not specified; Lide, 1994), C18:2b , C18:3 no data located

C14 1.87E-06 (measured, Daubert and Danner, 1995) - C18 9.63E-07 (measured, Daubert and Danner, 1989) C16:1 8.92E-05 (modeled) C18:1 1.87E-06 (measured, Perry, 1984), C18:2a 1.16E-06 C18:2b 1.16E-06 (measured, Daubert and Danner, 1991), C18:3 7.20E-07 (Daubert and Danner, 1993)

C14 6.11 - C18 8.23 (measured, Sangster, 1993) C16:1 6.58 C18:1 7.64 C18:2a 7.05 C18:2b 7.05 C18:3 6.46 (measured, Sangster, 1993)

C14 1.07 - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992), C16:1 0.133 C18:1 0.0115 C18:2a 0.0377 C18:2b 0.0377 C18:3 0.124 (modeled)

C14 5.02E-02 - C18 4.82E-02 (measured, Epi EDB), C16:1 2.58 Bond; 0.987 Group; C18:1 4.5 Bond; 1.97 Group C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group C18:3 3.51 Bond; 1.36E-01 Group (modeled)

Fatty acids, palm-oil; 68440-15-3 (7)

C14 53.9 - C18 69.3 C18:1 13.4 C18:2a -8.5 (measured, Epi EDB), C18:2b 132.4 (modeled)

C14 326.2 - C18 383 C18:1 360 C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled)

C14 0.86 at 54ºC -C18 0.94 at 20ºC , C18:1 0.89 at 20oC, C18:2a 0.902 at 20oC (method not specified; Lide, 1994), C18:2b no data located

C14 1.87E-06 (measured, Daubert and Danner, 1995)- C18 9.63E-07 (measured, Daubert and Danner, 1989) C18:1 1.87E-06 (measured, Perry, 1984) C18:2a 1.16E-06 (measured, Daubert and Danner, 1991) C18:2b 1.16E-06 (measured, Daubert and Danner, 1991)

C14 6.11 - C18 8.23 C18:1 7.64 C18:2a 7.05 C18:2b 7.05 (measured, Sangster, 1993)

C14 1.07 - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992), C18:1 0.0115 C18:2a 0.0377 C18:2b 0.0377 (modeled)

C14 5.02E-02 - C18 4.82E-02 (measured, Epi EDB), C18:1 4.54 Bond; 1.97 Group C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group (modeled)


20

Fatty acids, soya; 68308-53-2 (16)


C14 326.2 - C18 383 (measured, Epi EDB) C16:1 362.4 (measured, EDB), C18:1 360 C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled) C18:3 231 at 22.7 hPa (measured, Epi EDB)

C14 0.86 at 54ºC - C18 0.94 at 20ºC, C16:1 no data located C18:1 0.89 at 20oC , C18:2a 0.902 at 20oC (method not specified; Lide, 1994), C18:2b , C18:3 no data located

C14 1.87E-06 (measured, Daubert and Danner, 1995)- C18 9.63E-07 (measured, Daubert and Danner, 1989) C16:1 8.92E-05 (modeled) C18:1 1.87E-06 (measured, Perry, 1984), C18:2a 1.16E-06 C18:2b 1.16E-06 (measured, Daubert and Danner, 1991), C18:3 7.20E-07 (measured, Daubert and Danner, 1993)


C14 1.07 - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992) C18:1 0.0115 C18:2a 0.0377 C18:2b 0.0377 C18:3 0.124 (modeled)

C14 5.02E-02 - C18 4.82E-02 (measured, Epi EDB), C16:1 2.58 Bond; 0.987 Group; C18:1 4.54 Bond; 1.97 Group C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group C18:3 3.51 Bond; 1.36E-01 Group (modeled)

Fatty acids, dehydrated castor-oil; 61789-45-5 (18)

C18:1 13.4 C18:2a -8.5 (measured, Epi EDB), C18:2b 132.4 (modeled)

C18:1 360 C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled) (measured, Epi EDB)

C18:1 0.89 at 20oC (method not specified; Lide, 1994), C18:2a 0.902 at 20oC (method not specified; Lide, 1994), C18:2b no data located

C18:1 1.87E-06 (measured, Perry, 1984) C18:2a 1.16E-06 , C18:2b 1.16E-06 (measured, Daubert and Danner, 1991)

C18:1 7.64 C18:2a 7.05 C18:2b 7.05 (measured, Sangster, 1993)

C18:1 0.0115 C18:2a 0.0377 C18:2b 0.0377 (modeled)

C18:1 4.5 Bond; 1.97 Group C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group (modeled)

Fatty acids, tallow, hydrogenated; 61790-38-3








Fatty acids, coco, heavy fractions; 68937-85-9(6)



C8 0.91 at 20 °C – C12 0.87 at 50oC (method not specified; Budavari et al., 1996)

C8 4.95E-03 (measured, Daubert and Danner, 1995)- C12 2.13E-05 (measured, Yaws, 1994)


C8 789 at 30°- C12 4.81 (measured, Yalkowsky and Dannenfelser, 1992)

C8 9.04 E-2 (measured, Epi EDB) - C12 0.944 Bond; 0.942 Group (modeled)


21

Fatty acids, coco, hydrogenated; 68938-15-8(6)



C8 0.91 at 20 °C (method not specified; Budavari et al., 1996) – C120.87 at 50ºC (method not specified; Lide, 1994)




C8 9.04E-02 (measured, Epi EDB) - C12 0.944 Bond; 0.942 Group (modeled)

Fatty acids, coco; 61788-47-4(6)



C80.91 at 20 °C (method not specified; Budavari et al., 1996) -C12 0.87 at 50ºC (method not specified; Lide, 1994)


C8 3.05 (measured, Epi EDB)-) C12 4.60 (measured, Sangster, 1993)


C8 9.04E-02 (measured, Epi EDB) - C12 0.944 Bond; 0.942 Group (modeled)

Dicarboxylic acids Carboxylic acids, di-, C4-11; 68937-72-4


345.5 (measured, Epi EDB

No data located

3.84E-07 (measured, Perry, 1984)

1.21 (modeled)

1.19E+004 (measured, Yalkowsky and Dannernfelser, 1992)


Nonanedioic acid; 123-99-9 106.5 (method not specified; Gunstone et al., 1994)

286.5 at 133 hPa (method not specified; SAX’s 9th ed., 1998)

1.22 (method not specified; Lide, 1994)



2400 at 20° (measured, Yalkowsky and Dannenfelser, 1992)

Bond: 2.26E-06; Group: 2.31E-07 (modeled)

Decanedioic acid; 111-20-6


295 at 133 hPa (method not specified; Lide, 1994)



2.2 (modeled)

1000 at 20ºC (measured, Yalkowsky and Dannenfelser, 1992)


Carboxylic acids, C6-18 and C8-15 di-; 68937-70-2

-3 (measured, Epi EDB)


No data located

0.058 (measured, Daubert and Danner, 1989)


1.03E+04 (measured, Yalkowsky and He, 2003)

0.0768 (measured, Khan and Brimblecombe, 1992)

Fatty acid distillation residues


22

Fatty acids, tallow, hydrogenated, distillation residues; 72379-28-3




C14 1.87E-06 (measured, Daubert and Danner, 1995) - C18 9.63E-07 (measured, Daubert and Danner, 1989)


C14 .07 (measured, Yalkowsky and Dannenfelser, 1992) - C18 0.597 (measured, Yalkowsky and He, 2003)


Fatty acids, C8-18 and C18 unsaturated, distillation residues; 70321-72-1(5)

C8 16.3 - C18 69.3 C18:1 13.4 (measured, Epi EDB) C18:2a -8.5 (measured, Epi EDB), C18:2b 132.4 (modeled) C18:3 -16.5 (measured, Epi EDB)

C8 239 - C18 383 C18:1 360 C18:2a 365.2 (measured, Epi EDB) C18:2b 389.2 (modeled) C18:3 231 at 22.7 hPa (measured, Epi EDB)

C8 0.91 at 20 °C (method not specified; Budavari et al., 1996)-C18 0.94 at 20ºC , C18:1 0.89 at 20oC , C18:2a 0.902 at 20oC (method not specified; Lide, 1994), C18:2b , C18:3 no data located

C8 4.95E-03 (measured, Daubert and Danner, 1995) - C18 9.63E-07 (measured, Daubert and Danner, 1989) C18:1 1.87E-06 (measured, Perry, 1984), C18:2a 1.16E-06 C18:2b 1.16E-06 (measured, Daubert and Danner, 1991), C18:3 7.20E-07 (measured, Daubert and Danner, 1993)

C8 3.05 (measured, Epi EDB)- C18 8.23 (measured, Sangster, 1993) C18:1 7.64 C18:2a 7.05 C18:2b 7.05 C18:3 6.46 (measured, Sangster, 1993)

C8 789 at 30° - C18 0.597 (measured, Yalkowsky and Dannenfelser, 1992), C18:1 0.0115 C18:2a 0.0377 C18:2b 0.0377 C18:3 0.124 (modeled)

C8 9.04 E-02 -C18 4.82E-02 (measured, Epi EDB), C18:1 4.5 Bond; 1.97 Group C18:2a 4.00 Bond; 0.518 Group C18:2b 4.00 Bond; 0.518 Group C18:3 3.51 Bond; 1.36E-01 Group (modeled)

Sodium and potassium salts

Octanoic acid, sodium salt; 1984-06-1

187.96 (modeled)

461.97 (modeled)

No data located

6.51 E-09 (modeled)

-1.38 (measured, Moschner and CeCe, 1995)

9.7 E+05 (modeled)

Bond : 0.3; Group incomplete (modeled)

Decanoic acid, sodium salt; 1002-62-6

C10 203.31 (modeled)


No data located

C10 1.13E-09 (modeled)

C10 0.20 (modeled)

C10 3.13e+04 (modeled)

C10 5.38E-01 Bond; Group incomplete (modeled)

Dodecanoic acid, sodium salt; 629-25-4



No data located

C12 2.04E-10 (modeled)

C12 1.19 (modeled)

C12 3244 (modeled)

C12 9.47E-01 Bond; Group Incomplete (modeled)

Tetradecanoic acid, sodium salt; 822-12-8

227.4 (modeled)

531.6 (modeled)

No data located

3..88E-11 (modeled)

2.2 (modeled)

330.8 (modeled)

Bond : 1.67; Group: Incomplete (modeled)

Hexadecanoic acid, sodium salt; 408-35-5

238.2 (modeled)

554.8 (modeled)

No data located

1.84 E-12

(modeled) 3.2 (modeled)

33.3 (modeled)

Bond : 2.94 (modeled)

Octadecanoic acid, sodium salt; 822-16-2

249.0 (modeled)

578.0 (modeled)

No data located

1.35E-12 (modeled)

4.13 (modeled)

3.32 (modeled)

Bond : 5.19 (modeled)


23

Fatty acids, C6-12, sodium salts; 67762-44-1

C6 172.6 - C12 216.5 (modeled)

C6 438.8 - C12 508.4 (modeled)

No data located

C6 3.69E-08 - C12 2.04E-10 (modeled)

C6 -2.17 (Hansch et al. 1995) - C12 1.19 (modeled)

C6 1E+06 - C12 3244 (modeled)

C6 1.73E-01 Bond; Group incomplete- C12 9.47E-01 Bond; Group Incomplete (modeled)

Fatty acids, C12-18, sodium salts; CAS 91032-12-1

C12 216.5- C18 249.0 (modeled)

C12 508.4 - C18 578.0 (modeled

No data located

C12 2.04E-10 - C18 1.35E-12 (modeled)

C12 1.19 - C18 4.13 (modeled)

C12 3244- C18 3.32

C12 9.47E-01 Bond; Group incomplete - C18 5.19 Bond; Group incomplete (modeled)

Fatty acids, C14-18 and C16-18-unsaturated, sodium salts; 67701-11-5 (18)

C14 227.4 - C18 249.0 (modeled) C18:1 233.5 (measured, Epi EDB) C18:2 252.4 (modeled)

C14 531.6 - C18 578.0 C18:1 581.6 C18:2 585.2 (modeled)

No data located

C14 3.88E-11 - C18 1.35E-12 C18:1 1.68E-12 C18:2 8.01E-13 (modeled)

C14 2.17 - C18 4.13 C18:1 3.92 C18:2 3.70 (modeled)

C14 331- C18 3.32 C18:1 5.21 (modeled) C18:2 8.17

C14 1.67 Bond; Group incomplete- C18 5.19 Bond; Group incomplete C18:1 4.56 Bond; Group incomplete C18:2 4.01 Bond; Group incomplete (modeled)

Fatty acids, coco, sodium salts; 61789-31-9 (13)

C8 188.0 - C12 216.5 (modeled)

C8 462.0 - C12 508.4 (modeled)

No data located

C8 6.51E-09 - C12 2.04E-10 (modeled)

C8 -1.38 (measured, Moschner and CeCe, 1995)- C12 1.19 (modeled)

C8 9.67E+05 - C12 3244 (modeled)

C8 3.05E-01 Bond; Group incomplete- C12 9.47E-01 Bond; Group incomplete (modeled)

Fatty acids, vegetable-oil, sodium salts; 68082-64-4


C8 462.0 - C18 578.0 C18:1 581.6 C18:2 585.2 (modeled)

No data located


C8 -1.38 (measured, Moschner and CeCe, 1995)- C18 4.13 C18:1 3.92 C18:2 3.70 (modeled)

C8 9.67E+05 - C18 3.32 C18:1 5.21 (modeled) C18:2 8.17

C8 0.305 Bond; Group incomplete - C18:1 5.19 Bond; Group incomplete C18:1 4.56 Bond; Group incomplete C18:2 4.01 Bond; Group incomplete (modeled)


24

Fatty acids, tallow, sodium salts; 8052-48-0 (17)


C14 531.6 - C18 578.0 C18:1 581.6 C18:2 585.2 (modeled)

No data located


C14 2.17 - C18 4.13 C18:1 3.92 C18:2 3.70 (modeled)

C14 331- C18 3.32 C18:1 5.21 C18:2 8.17 (modeled)

C14 1.67 Bond; Group incomplete C16 - C18 5.19 Bond; Group incomplete C18:1 4.56 Bond; Group incomplete C18:2 4.01 Bond; Group incomplete (modeled)

Fatty acids, palm-oil, sodium salts; 61790-79-2 (10)


C14 531.6 - C18 578.0 C18:1 581.6 C18:2 585.2 (modeled)

No data located


C14 2.17 - C18 4.13 C18:1 3.92 C18:2 3.70 (modeled)

C14 331- C18 3.32 C18:1 5.21 C18:2 8.17 (modeled)

C14 1.67 Bond; Group incomplete- C18 5.19 Bond; Group incomplete C18:1 4.56 Bond; Group incomplete C18:2 4.01 Bond; Group incomplete (modeled)

Fatty acids, C8-18 and C18-unsaturated, sodium salts; 67701-10-4 (11)


C8 462.0 - C18 578.0 C18:1 581.6 C18:2 585.2 (modeled)

No data located


C8 -1.38 (measured, Moschner and CeCe, 1995) - C18 4.13 C18:13.92 C18:2 3.70 (modeled)

C8 9.67E+05- C18 3.32 C18:1 5.21 (modeled) C18:2 8.17

C8 0.305 Bond; Group incomplete - C18 5.19 Bond; Group incomplete C18:1 4.56 Bond; Group incomplete C18:2 4.01 Bond; Group incomplete (modeled)



C16 554.8 - C18 578.0 (modeled)

No data located

C16 1.84E-12 - C18 1.35E-12 (modeled)

C16 3.15 - C18 4.13 (modeled)

C16 33.3- C18 3.32 (modeled)

C16 2.94 Bond; Group incomplete- C18 5.19 Bond; Group incomplete (modeled)

Dodecanoic acid, potassium salt; 10124-65-9

216.51 (modeled)

508.38 (modeled)

No data located

2.04E-12 (modeled)

1.2 (modeled)

2656 (modeled)

1.831E-09 (modeled)

9-Octadecenoic acid, (Z)-, potassium salt; 143-18-0

250.71 (modeled)

581.6 (modeled)

No data located

1.04 E-12 (modeled)

3.9 (modeled)

4.19 (modeled)

7.962E-09 (modeled)


25

Fatty acids, C8-18 and C18-unsaturated, potassium salts; 67701-09-1 (12)

C8 188.0 - C18 249.0 C18:1 250.7 (modeled)

C8 462.0 - C18 578.0 C18:1 581.6 (modeled)

No data located

C8 6.51E-09 - C18 1.35E-12 C18:1 1.04E-12 (modeled)

C8 -0.78 - C18 4.13 C18:1 3.92 (modeled)

C8 2.48E+05 - C18 2.67 C18:1 4.19 (modeled)

C8 4.79E-10 - C18 1.63E-08 C18:1 7.96E-09 (modeled based on modeled VP and WS)

Fatty acids, C14-18 and C16-18-unsaturated, potassium salts; 68002-80-2 (9)

C16 238.2 - C18 249.0 C18:1 250.7 (modeled)

C16 554.8 - C18 578.0 C18:1 581.6 (modeled)

No data located

C16 7.28E-12 - C18 1.35E-12 C18:1 1.04E-12 (modeled)

C16 3.15 - C18 4.13 C18:1 3.92 (modeled)

C16 26.9- C18 2.67 C18:1 4.19 (modeled)

C16 7.97E-09 C18 1.63E-08 C18:1 7.96E-09 (modeled)

Fatty acids, coco, potassium salts; 61789-30-8 (14)

C8 188.0 - C12 216.5 (modeled)

C8 462.0 - C12 508.4 (modeled)

No data located

C8 6.51E-09 - C12 2.04 E-10 (modeled)

C8 -0.78 - C12 1.19 (modeled)

C8 2.48E+05 - C12 2656 (modeled)

C8 4.79E-10 – C12 1.83E-09 (modeled based on modeled VP and WS)

Magnesium and calcium salts

Octadecanoic acid, magnesium salt; 557-04-0

287.83 (modeled)

661.1 (modeled)

No data located

8.69 E-15 (modeled)

14.3 (modeled)

1.045 E-10


Fatty acids, tallow, calcium salts; CS 64755-01-7

C14 231.9 (modeled)- C18 179.5 (measured, Epi EDB) C18:1 291.2 (modeled)

C14 568.2 - C18 661.1 C18:1 668.2 (modeled)

No data located

C14 3.91E-12 - C18 6E-14 C18:1 1.73E-15 (modeled)

C14 10.41 - C18 14.34 C18:1 13.91 (modeled)

C14 9.97E-07 (modeled) - C18 2.00 at 35°C (Demorsier et al., 1987) C18:1 2.04E-10 (modeled)

C14 0.194 - C18 44.2 C18:1 0.513 (modeled)

Hexadecanoic acid, calcium salt; 542-42-7

262.6 (modeled)

614.6 (modeled)

No data located

1.02 E-13


9.1 E-09 (modeled)

0.6 (modeled)

Ammonium salts

Dodecanoic acid, ammonium salt; 2437-23-2

305.74 (modeled)

491.71 (modeled)

No data located

4.27E-11 (modeled)

0.33 (modeled)

163.1 (modeled)


Octadecanoic acid, ammonium salt; 1002-89-7

73-87 (method not specified; Busch, 1982); 213.23 (selected)

501.4 (modeled)

No data located

3.38 E-08 (modeled)

5.07 (modeled)

0.565 (modeled)

2.48E-08 Bond (modeled)

1 All modeled endpoints were filled using EPI Suite v4.10, 2012 2 Multi-component substances presented in red text. 3 Calculation of physico-chemical properties by EPI Suite is not appropriate due to undefined structure; values for component substances are provided.


26

4 Modeled or Exper database = EPI Suite v4.10, 2012. The following were modeled as: 5 C18:1 (CAS 112-80-1); C18:2a (CAS 60-33-3); C18:2b (CAS 12125-47-3); C18:3 (CAS 463-40-1). 6 C8, C10, C12. 7 Percentages approx.:C14 (1%); C16 (43.5%); C18 (4%); C18:1 (CAS 112-80-1) (37%); C18:2 (9% total); C18:2a (CAS 60-33-3); C18:2b (CAS 12125-47-3); Unknown (5.5%). 8 C18:2a (CAS 60-33-3); C18:2b (CAS 12125-47-3) 9 No modeling available for C14, C16:1, C18:2, or C18:3 potassium salts 10 Percentages approx.: C14 (1%); C16 (43.5%); C18 (4%); C18:1 (37%); C18:2 (9%); Unknown (5.5%) 11 C18:2 Na salt (CAS 822-17-3) 12 No modeling available for C10, C14, C18:2, or C18:3 potassium salts 13 C8; C10; C12 14 C8; C10 (no modeling available); C12 15 C18:1 (CAS 112-80-1); C18:2a (CAS 60-33-3); C18:2b (CAS 12125-47-3); C18:3 (CAS 463-40-1) 16 Percentages approx.: C14 (3%); C16 (26%); C18 (14%); C16:1 (3%); C18:1 (47%); C18:2 (3%); C18:2a (CAS 60-33-3); C18:2b (CAS 12125-47-3); C18:3 (1%) 17 Percentages approx.: C14 (3%); C16 (26%); C18 (14%); C16:1 (3%) – unavailable; C18:1 (47%); C18:2 (3%); C18:3 (1%) – unavailable 18 C16:1 Na salt – unavailable 19 Percentages approx.: C18:1 (15%); C18:2a (25-30%); Conjugated C18:2b (45-50%) 20 C18:1 21 C18:2a 22 C18:2b 23 C18:3 The melting point data indicate that the aliphatic acids are generally solids at room temperature. Exceptions are the aliphatic acids with chain lengths less than C10, where the C8 (CAS No 124-07-2) and C9 (CAS No 112-05-0) aliphatic acids have measured melting points in the 12-16 ºC range. The unsaturated C18 aliphatic acids also are liquids at room temperatures, with 9Z-octadecenoic acid (C18, 1 double bond; CAS No 112-80-1) having a melting point in the 4-16 ºC range and 9Z,12Z-octadecadienoic acid (C18, 2-double bonds; CAS No 60-33-3) having a melting point of-12 ºC. Based on the increase in melting points with increasing chain length, shorter chain unsaturated aliphatic acids, such as 9Z-tetradecenoic acid (C14, 1 double bond; CAS No 544-64-9) and 9Z-hexadecenoic acid (C16, 1 double bond; CAS No 2091-29-4) are also expected to be liquids at room temperature. Mixtures of aliphatic acids with high C8 and C9 aliphatic acid content, or with high unsaturated aliphatic acid content, may be liquids as well.

1.4 Category and Analogue Justification

The aliphatic acids category consists of 78 sponsored aliphatic acids, all of which contain the carboxylic acid functional group attached to an aliphatic acid chain. The aliphatic acids category consists of C8-C22 aliphatic acids, also called fatty acids, and their salts. The sponsored aliphatic acids are present in plant or animal fats or oils and are produced from those sources (APAG, 2009). Sponsored substances include both single chain length aliphatic acids as well as mixtures of defined chain length ranges of aliphatic acids. Such mixtures may be named by the chain length distribution or by the fat (triglyceride) from which the mixture is derived. Many of the sponsored substances in this category are mixtures composed of single chain length components (homologues). Property estimates are for a discrete chain length. This is because the estimation technique is based on a relationship between a specific chemical structure and a measured or estimated property of that structure. A property of a commercial mixture of aliphatic acids is therefore a function of that property for each of the discrete chain length components in the mixture. The general structure for aliphatic acids is: RC(=O)OX, where: R is a linear alkyl chain that may be saturated or unsaturated (with 1 to 3 double bonds) and;


27

X is the hydrogen ion for aliphatic acids; or, X = the ammonium, sodium or potassium ion for salts. Sodium or potassium salts of C10-22 aliphatic acids are commonly called soaps. The aliphatic acids category also includes di-acid salts with calcium or magnesium: RC(=O)OYOC(=O)R, where Y is calcium or magnesium. Fatty acid distillation residues contain the same chain ranges (tallow, C8-18, C18-unsaturated) as CAS No. 67701-05-7, Fatty acids, C8-18 and C18-unsaturated (Alkyl range and source based), but purity is lower. The supporting substances for Alkyl range and sourced based, and Fatty acid distillation residues are the same. Sodium, potassium, magnesium, calcium and ammonium aliphatic acid salts contain the same chain length (or range) as corresponding sponsored Single component or Alkyl range or sourced based substances. As such, read across to the corresponding sponsored substance or supporting substance is reasonable.

Sponsored substances include a methyl-branched aliphatic acid, isooctadecanoic acid, and an aliphatic acid with a hydroxyl group, 12-hydroxy-octadecanoic acid. Sponsored substances also include two single-chain length dicarboxylic acids (decanedioic acid): HOC(=O)(CH2)nC(=O)OH, where n = 7 (nonanedioic acid, C9); or, n = 8 (decanedioic acid, C10). Additional sponsored dicarboxylic acids include a mixture of C6-9 dicarboxylic acids (Carboxylic acids, di-, C4-11) and a mixture of C9-18 monocarboxylic acids and C6-14 dicarboxylic acids (Carboxylic acids, C6-18 and C8-15 di-). Finally, the sponsored substances include two fatty acid distillation residues (Fatty acids, C8-18 and C18 unsaturated, distillation residues and Fatty acids, tallow, hydrogenated, distillation residues) which consist of 60-70% C6-C26 aliphatic acids, with the remainder consisting of triglycerides. Due to the structural similarities of the aliphatic acids, their physico-chemical properties are similar and a clear correlation with hydrocarbon chain length is observed. Melting point, boiling point and density increase with increasing chain length. The vapor pressures of the aliphatic acids decrease with increasing carbon number and generally are low (<0.1 hPa for the acids, <1 x 10-6 hPa for the salts). Water solubility decreases with increasing carbon numbers. Solubility of the soaps, especially the sodium and potassium salts, and the dicarboxylic acids are several orders of magnitude higher.

The aliphatic acids share a common degradation pathway in which they are metabolized to acetyl-CoA or other key metabolites in all living systems (Lehninger 1970, Nelson and Cox, 2008). Fatty acid distillation residues contain the same chain ranges (tallow, C8-18, C18-unsat) as CAS No. 67701-05-7, Fatty acids, C8-18 and C18-unsaturated (Alkyl range and source based), but purity is lower. The supporting substances for Alkyl range and sourced based, and Fatty acid distillation residues are the same. Sodium, potassium, magnesium, calcium and ammonium aliphatic acid salts contain the same chain length (or range) as corresponding sponsored Single component or Alkyl range or sourced based substances. As such, read across to the corresponding sponsored substance or supporting substance is reasonable.

In addition to the data on the sponsored substances, data have been compiled for additional aliphatic acids as supporting substances (Table 4). Data on the C4, C5 and C6 dicarboxylic acids (butanedioic,


28

pentanedioic and hexanedioic acids) were compiled in the US HPV Challenge program and the Revised Summaries (Robust Study Summaries, available at: http://www.epa.gov/chemrtk/pubs/summaries/dicarbx/c13108tc.htm). Data on hexanedioic acid were also compiled for the OECD SIDS program and the SIDS documents are available at: http://www.chem.unep.ch/irptc/sids/OECDSIDS/124049.pdf.

Table 4. Chemical Identifiers for Supporting Substances CAS No IUPAC or CAS Name Molecular

Formula (a) Structural Formula Molecular

Weight (1) Single component

111-14-8 Heptanoic acid C7-H14-O2 C7:

130.19

142-62-1 Hexanoic acid C6-H12-O2 C6:

116.16

120-87-6 9,10-Dihydroxy-octadecanoic acid

C18-H36-O4 C18, 2 hydroxyl groups:

316.49

112-85-6 Docosanoic acid C22-H44-O2 C22:

340.6

2197-37-7 (9Z,12Z)-octadeca-9,12-dienoic acid; 9,12-

Octadecadienoic acid


280.45

Alkyl ranges and sourced based 95912-82-6 Fatty acids, C16-22 and

C18-22 unsaturated Not applicable C16-22, unsaturated -

61790-12-3 Fatty acids, tall-oil Not applicable C18, 1 double bond (predominately); C18-20

-

85711-54-2 Fatty acids, rape-oil Not applicable C18-22 - 68953-27-5 Fatty acids, sunflower,

conjugated Not applicable C16-18, adjacent double bonds

-

Dicarboxylic acids 110-15-6 Butanedioic acid C4-H6-O4 C4, dicarboxylic:

118.09

110-94-1 Pentanedioic acid C5-H8-O4 C5, dicarboxylic:

132.12

124-04-9 Hexanedioic acid C6-H10-O4 C6, dicarboxylic: 146.14

http://www.epa.gov/chemrtk/pubs/summaries/dicarbx/c13108tc.htm

http://www.chem.unep.ch/irptc/sids/OECDSIDS/124049.pdf


29

871-70-5 Octadecanedioic acid C18-H34-O4 C18, dicarboxylic:

314.47

693-23-2 Dodecanedioic acid C12-H22-O4 C12, dicarboxylic:

230.31

Fatty acid distillation residues (2)

Sodium and potassium salts (3) 143-19-1 Sodium (Z)-octadec-9-

enoate; 9-Octadecenoic acid, (Z)-, sodium salt

C18-H34-O2.Na C18, 1 double bond, sodium salt:

304.45

68424-26-0 Fatty acids, C16-18 and C18-unsaturated,

sodium salts

Not applicable C16-22, unsaturated, sodium salts -

68604-80-8 Fatty acids, C16-22, sodium salts

Not applicable C16-22, sodium salts -

91032-02-9 Fatty acids, C12-18, potassium salt

Not applicable C12-18, potassium salts -

Magnesium and calcium salts (3) 637-12-7 Aluminum

octadecanoate; Octadecanoic acid,

aluminum salt

C18-H36-O2.1/3Al C18, aluminum salt, tri-:

877.42

Ammonium salts (3) 84753-04-8 9,10-Dihydroxy-

octadecanoic acid, ammonium salt

C18-H36-O4.H3-N C18, 2 hydroxyl groups, ammonium salt:

333.52

(1) Molecular formula not available for multi-component substances. Molecular weights provided for single chain length aliphatic acids. Aliphatic acid mixtures have molecular weights within the carbon chain range provided.

(2) Fatty acid distillation residues contain the same chain ranges (tallow, C8-18, C18-unsat) as CAS No. 67701-05-7, Fatty acids, C8-18 and C18-unsaturated (Alkyl range and source based), but purity is lower. The supporting substances for Alkyl range and sourced based, and Fatty acid ditillation residues are the same.

(3) Sodium, potassium, magnesium, calcium and ammonium aliphatic acid salts contain the same chain length (or range) as a corresponding single component or Alkyl range or source based sponsored substance. As such, read across to the corresponding sponsored substances or supporting substances is reasonable.

Table 5. Water Solubility and Partition Coefficient for Supporting Substances

CAS No IUPAC or CAS Name Water solubility (mg/L)

Partition coefficient

Single component 111-14-8 Heptanoic acid 2820 (modeled) 2.4 (modeled)


30

142-62-1 Hexanoic acid 1.03E+04 (measured, Yalkowsky and He,

2003)


120-87-6 9,10-Dihydroxy-octadecanoic acid 0.7641 (modeled) 5.3 (modeled) 112-85-6 Docosanoic acid 0.016 (measured, Epi

EDB) 9.9 (modeled)

2197-37-7 (9Z,12Z)-octadeca-9,12-dienoic acid; 9,12-Octadecadienoic acid

No data located No data located

Alkyl ranges and sourced based 95912-82-6 Fatty acids, C16-22 and C18-22

unsaturated Poorly soluble

(Ozkabakcioglu, 1999) No data located

61790-12-3 Fatty acids, tall-oil No data located 4.6 – 8.0 (Dybdahl, 1993) 85711-54-2 Fatty acids, rape-oil No data located No data located 68953-27-5 Fatty acids, sunflower, conjugated No data located No data located

Dicarboxylic acids 110-15-6 Butanedioic acid No data located No data located 110-94-1 Pentanedioic acid No data located No data located 124-04-9 Hexanedioic acid No data located No data located 871-70-5 Octadecanedioic acid 0.1485 (modeled) 6.1 (modeled) 693-23-2 Dodecanedioic acid 40 (measured,

Yalkowsky and Dannenfelser, 1992)

3.2 (modeled)

Fatty acid distillation residues (1)

Sodium and potassium salts 143-19-1 Sodium (Z)-octadec-9-enoate; 9-

Octadecenoic acid, (Z)-, sodium salt 5.2 (modeled) 3.9 (modeled)

68424-26-0 Fatty acids, C16-18 and C18-unsaturated, sodium salts

No data located No data located

68604-80-8 Fatty acids, C16-22, sodium salts No data located No data located 91032-02-9 Fatty acids, C12-18, potassium salt No data located No data located

Magnesium and calcium salts 637-12-7 Aluminum octadecanoate;

Octadecanoic acid, aluminum salt Not soluble (Hawley,

1998) 22.7 (modeled)

Ammonium salts 84753-04-8 9,10-Dihydroxy-octadecanoic acid,

ammonium salt 69.6 (modeled) 2.4 (modeled)


2 GENERAL INFORMATION ON EXPOSURE

2.1 Production Volumes and Use Pattern

According to the HERA Project Assessment on Fatty Acid Salts (2003), the estimated annual tonnage of fatty acids salts produced for use in household cleaning products in Europe is 71,306 metric tons (HERA, 2003). This has been compiled from 4 of the 6 main formulator companies and is estimated to cover greater than 80% of the tonnage used in household cleaning products. The total use of fatty acid salts in Europe in 1994 was estimated to be 701,000 MT/year (BKH, 1994). The estimated regional production volumes of the sponsored category of aliphatic acids, based on a 2002 survey of Consortium member companies (unpublished), are 997,900 tonnes in Europe and 952,500 tonnes in North America (Soap and Detergent Association, 2002).

Annex I to this document provides high end estimates of the potential environmental and human exposure to aliphatic acids from manufacture and use in industrial and institutional, commercial and consumer products in the United States and Europe to complement an Organization for Economic Co-Operation and Development Screening Information Data Sets Programme review of this category.


31

2.1.1 Production processes

Aliphatic acids are produced from plant and animal fats and oils (triglycerides). In the currently used production process (APAG 2009), hydrolysis is the basic production step; the fats and oils are split into crude glycerine and a mixture of crude fatty acids, under the combined action of water, temperature and pressure. The temperature exceeds 200°C and the products are kept under pressure for more than 20 minutes. Distillation is used to purify the crude fatty acids under vacuum. Hydrogenation increases the melting point of the fatty acids. Hydrogenation is the conversion of unsaturated acids into saturated acids. Separation of fatty acids yields a liquid fraction (unsaturated acids, mainly oleic acids) and a solid fraction (saturated acids, mainly stearic acids). Fractional distillation is used to separate a mixture of fatty acids into fatty acids of a more specific chain length. Aliphatic acid salts are produced by neutralizing with the appropriate base.

Dicarboxylic acids are derived from mono- or polyunsaturated aliphatic acids by reaction of the double bonds with ozone. The resulting cleavage products are mixtures of mono- and dicarboxylic acids which can be further fractionated to yield pure dicarboxylic acids and short-chain monocarboxylic acids.

In the older production process (Noller, 1966), the melted fat and a solution of sodium hydroxide are run simultaneous into a large tank with a conical bottom and boiled by steam in both open and closed coils in the bottom of the tank. When saponification is complete, the soap is precipitated by the addition of salt. The soap is then washed by re-solution and re-precipitation.

2.1.2 Industrial and Commercial Uses

The textile industry is one of the major industrial and commercial users of fatty acids and their derivatives. Beyond their wetting properties, as are used in neutral soaps, fatty acids are used in dyeing, as textile lubricating agents, and as resins. Fatty acids are also used in pharmaceuticals, lubrication oils, as protective coatings, in rubber manufacturing, mining, metal working and in leather softening.

2.1.3 Consumer Uses

Aliphatic acid and their salts (soap) are widely used in household cleaning products, cosmetics including many lotions, lipsticks, and cleansing creams, food and food packaging, and paints and coatings. Uses in household cleaning products, the focus of the HERA Assessment (2003), include fabric washing products, fabric conditioners, laundry additives and surface and toilet cleaners. These uses cover chain lengths of C10-C22 predominately with counter-ions of sodium and potassium. The weight percent distribution of the aliphatic acid salts for the uses covered by the HERA assessment (2003) is:

C10 1.1% C12 37% C14 12% C16 17% C18 32% >C18 0.8%.


32

2.2 Environmental Exposure and Fate

2.2.1 Sources of Environmental Exposure

Exposure could arise in association with production, formulation and industrial use of these substances. There would also be exposure from consumer uses. The majority of the aliphatic acid salt uses result in down the drain releases to the environment (HERA, 2003).

2.2.2 Photodegradation

The aliphatic acids are subject to photodegradation in air. Modeled photodegradation rates (half-lives) based on AopWin v1.92 (EPI Suite v4.10, 2012) are provided in Table 6. The modeling is based on the hydroxyl radical reaction at 25ºC and a hydroxyl radical concentration of 1.5E+06/cm3. For substances with double bonds, such as the unsaturated aliphatic acids, the model provides values for both the cis and trans isomers. Estimated half-lives generally decrease with increasing chain length.

Table 6 Summary of Photodegradation Modeling


33

Name and CAS Number

Overall OH rate constant (E-12 cm3 / molecule-sec)

Estimated half-life (hours; 12-hr day;

1.5E6 OH/cm3) Single component

Octanoic acid; 124-07-2 8.4 15.4 Nonanoic acid; 112-05-0 9.8 13.2 Decanoic acid; 334-48-5 11.2 11.5

Dodecanoic acid; 143-07-7 14.0 9.2 Tetradecanoic acid; 544-63-8 16.8 7.6 Hexadecanoic acid; 57-10-3 19.7 6.5 Heptadecanoic acid; 506-12-7 21.1 6.1 Octadecanoic acid; 57-11-4 22.5 5.7 Isooctadecanoic acid; 30399-84-9 22.5 5.7

12-hydroxy-octadecanoic acid; 106-14-9 31.5 4.1 9-Tetradecenoic acid, (Z)-; 544-64-9 69.9 (cis)-77.5 (trans) 1.7 (trans)-1.8 (cis) 9-Hexadecenoic acid, (Z)-; 2091-29-4 72.7 (cis)-80.3 (trans) 1.6 (trans)- 1.8 (cis) 9-Octadecenoic acid, (Z)-; 112-80-1 75.5 (cis)-83.1 (trans) 1.5 (trans)-1.7 (cis) 9,12-Octadecadienoic acid; 60-33-3 128.6 (cis)-143.8 (trans) 0.9 (trans)-1.0 (cis) Octadecadienoic acid (Conjugated linoleic acid); 121250-47-3

128.6 (cis)-143.8 (trans) 0.9 (trans)-1.0 (cis)

13-Docosenoic acid, (Z)-; 112-86-7 81.2 (cis)- 88.8 (trans) 1.5 (trans)-1.6 (cis) 9,12,15-Octadecatrienoic acid, (Z,Z,Z); 463-40-1 181.8 (cis)-204.6 (trans) 0.6 (trans)-0.7 (cis)

Alkyl range and sourced based Carboxylic acids, C5-9; 68603-84-9 5.5 23.2 Fatty acids, C6-10; 68937-74-6 5.52(C6)-11.2(C10) 11.5(C10)-23.2(C6) Fatty acids, C6-12; 67762-36-1 5.52(C6)-14(C12) 9.17(C12)-23.2(C6) Fatty acids, C8-10; 68937-75-7 8.35(C8)-11.2(C10) 11.5(C10)-15.4(C8) Fatty acids, C14-18; 67701-02-4 16.8(C14)-22.5(C18) 5.71(C18)-7.63(C14) Fatty acids, C16-18; 67701-03-5 19.7(C16)-22.5(C18) 5.71(C18)-6.53(C16)

Fatty acids, C16-20; 68937-76-8 19.7(C16)-25.3(C20) 5.07(C20)-6.53(C16) Fatty acids, C18-22; 90990-11-7 22.5(C18)-28.1(C22) 4.56(C22)-5.71(C18) Fatty acids, C14-22; 68424-37-3 16.6(C14)-28.1(C22) 4.56(C22)-7.63(C14) Fatty acids, C10-16; 68002-90-4 11.2(C10)-19.7(C16) 6.53(C16)-11.5(C10) Fatty acids, C12-14; 90990-10-6 14.0(C12)-16.8(C14) 7.63(C14)-9.17(C12) Fatty acids, C8-18; 90990-08-2 8.35(C8)-22.5(C18) 5.71(C18)-15.4(C8)

Fatty acids, C12-18; 67701-01-3 14.0(C12)-22.5(C18) 5.71(C18)-9.17(C12) Fatty acids, C8-18 and C18-unsaturated; 67701-05-7 8.35(C8)-205(C18) 0.627(C18:3)-15.4(C8) Fatty acids, C12-18 and C18-unsaturated; CS 90990-15-1 14(C12)-205(C18:3) 0.627(C18:3)-9.17(C12) Soaps, stocks, C8-18 and C18 unsaturated alkyl, acidulated; 68918-39-8

8.35(C8)-22.5(C18) 5.71(C18)-15.4(C8)

Fatty acids, C12-20 and C12-20 unsaturated; 68334-03-2 14.0(C12)-86.0(C20:1) 1.44 (C20:1)-9.17(C12) Fatty acids, C14-18 and C16-22-unsaturated; 68002-87-9 16.8(C14)-88.8(C22:1) 1.45(C22:1)-7.63(C14) Fatty acids, C14-18 and C16-18-unsaturated; 67701-06-8 16.8(C14)-205(C18:3) 0.627(C18:3)-7.63(C14) Fatty acids, C16-18 and C18-unsaturated; 67701-08-0 19.7(C16)-205(C18:3) 0.627(C18:3)-6.53(C16) Fatty acids, C16 and C18-unsaturated; 67701-07-9 19.7(C16)-205(C18:3) 0.627(C18:3)-6.53(C16) Fatty acids, vegetable-oil, unsaturated; 68648-24-8 67.1(C12:1)-205(C18:3) 0.627(C18:3)-

1.91(C12:1) Fatty acids, tallow; 61790-37-2 16.8(C14)-205(C18:3) 0.627(C18:3)-7.63(C14) Fatty acids, palm-oil; 68440-15-3 16.8(C14)-144(C18:2b) 0.892(C18:2b)-

7.63(C14)


34

Fatty acids, soya; 68308-53-2 16.8(C14)-205(C18:3) 0.627(C18:3)-7.63 (C14)

Fatty acids, dehydrated castor-oil; 61789-45-5 75.5(C18:1)-144(C18:2a,2b) 0.892(C18:2a,2b) -1.70(C18:1)

Fatty acids, tallow, hydrogenated; 61790-38-3 16.8(C14)-22.5(C18) 5.71(C18)-7.63(C14) Fatty acids, coco, heavy fractions; 68937-85-9 8.35(C8)-14.0(C12) 9.17(C12)-15.4(C8)

Fatty acids, coco, hydrogenated; 68938-15-8 8.35(C8)-14.0(C12) 9.17(C12)-15.4(C8) Fatty acids, coco; 61788-47-4 8.35(C8)-14.0(C12) 9.17(C12)-15.4(C8)

Dicarboxylic acids Carboxylic acids, di-, C4-11; 68937-72-4 8.4 15.3 Nonanedioic acid; 123-99-9 9.8 13.1 Decanedioic acid; 111-20-6 11.2 11.4

Carboxylic acids, C6-18 and C8-15 di-; 68937-70-2 5.5 23.2

Fatty acid distillation residues Fatty acids, tallow, hydrogenated, distillation residues; 72379-28-3

16.8(C14)-22.5(C18) 5.71(C18)-7.63(C14)

Fatty acids, C8-18 and C18 unsaturated, distillation residues; 70321-72-1

8.35(C8)-205(C18:3) 0.627(C18:3)-15.4(C8)

Sodium and potassium salts Octanoic acid, sodium salt; 1984-06-1 7.3 17.5

Decanoic acid, sodium salt; 1002-62-6 10.2 12.7 Dodecanoic acid, sodium salt; 629-25-4 13.0 9.9 Tetradecanoic acid, sodium salt; 822-12-8 15.8 8.1 Hexadecanoic acid, sodium salt; 408-35-5 18.6 6.9 Octadecanoic acid, sodium salt; 822-16-2 21.5 6.0 Fatty acids, C6-12, sodium salts; 67762-44-1 4.5(C6)-13.0(C12) 9.89(C6)-28.5(C6)

Fatty acids, C12-18, sodium salts; CAS 91032-12-1 13.0(C12)-21.5(C18) 5.98(C18)-9.89(C12) Fatty acids, C14-18 and C16-18-unsaturated, sodium salts; 67701-11-5

15.8(C14)-143(C18:2) 0.889(C18:2)-8.12(C14)

Fatty acids, coco, sodium salts; 61789-31-9 7.32(C8)-13.0(C12) 9.89(C12)-17.5(C8)

Fatty acids, vegetable-oil, sodium salts; 68082-64-4 7.32(C8)-C143(C18:2) 0.889(C18:2)-17.5(C8) Fatty acids, tallow, sodium salts; 8052-48-0 15.8(C14)-143(C18:2) 0.889(C18:2)-8.12(C14) Fatty acids, palm-oil, sodium salts; 61790-79-2 15.8(C14)-143(C18:2) 0.889(C18:2)-8.12(C14) Fatty acids, C8-18 and C18-unsaturated, sodium salts; 67701-10-4

7.32(C8)-C143(C18:2) 0.889(C18:2)-17.5(C8)

Fatty acids, C16-18, sodium salts; 68424-38-4 C16 18.6; C18 21.5 6.89 C16; C18 5.98 Dodecanoic acid, potassium salt; 10124-65-9 13.0 9.9 9-Octadecenoic acid, (Z)-, potassium salt; 143-18-0 74.5 (cis)-82.1 (trans) 1.6 (trans)- 1.7 (cis) Fatty acids, C8-18 and C18-unsaturated, potassium salts; 67701-09-1

7.32(C8)-21.5(C18:1) 1.56(C18:1)-17.5(C8)

Fatty acids, C14-18 and C16-18-unsaturated, potassium salts; 68002-80-2

18.6(C16)-82.1(C18:1) 1.56(C18:1)-6.89(C16)

Fatty acids, coco, potassium salts; 61789-30-8 7.32(C8)-13.0(C12) 9.89(C12)-17.5(C8)

Magnesium and calcium salts Octadecanoic acid, magnesium salt; 557-04-0 42.9 3.0 Fatty acids, tallow, calcium salts; CS 64755-01-7 31.6(C14)-164(C18:1) 0.782(C18:1)-4.06(C14)

Hexadecanoic acid, calcium salt; 542-42-7 37.3 3.5

Ammonium salts Dodecanoic acid, ammonium salt; 2437-23-2 45.8 2.8 Octadecanoic acid, ammonium salt; 1002-89-7 21.5 6.0


35

2.2.3 Stability in Water

Hydrolysis is not an important fate path in the environment due to the fact that the substances lack hydrolysable functional groups (EPI Suite v4.10, 2012). In addition, all of the aliphatic acids category members are stable in water based on decades of manufacturing experience with liquid cleaning products containing aliphatic acids (Stanton, 2012).

2.2.4 Transport between Environmental Compartments

Results of Fugacity Level III distribution modelling (EPI Suite v4.10, 2012) are provided in Table 7. The distribution data indicate that the aliphatic acids will distribute primarily to soil and water, with lesser amounts to air and sediment. With increasing chain length, the percent distributions to soil and sediment generally increase and the percent distributions to water and air generally decrease. [The values in Table 7 have been rounded to improve the readability of the table.]

Table 7 Summary of Transport between Environmental Compartments


36

Name and CAS Number

Modeled % distribution (air/water/soil/sediment)

Single component Octanoic acid; 124-07-2 3/32/65/<1 Nonanoic acid; 112-05-0 3/31/67/<1 Decanoic acid; 334-48-5 3/29/68/<1

Dodecanoic acid; 143-07-7 3/28/70/<1 Tetradecanoic acid; 544-63-8 2/26/71/<1 Hexadecanoic acid; 57-10-3 2/27/70/1 Heptadecanoic acid; 506-12-7 2/26/71/1 Octadecanoic acid; 57-11-4 <1/23/75/<1 Isooctadecanoic acid; 30399-84-9 13/23/74/1

12-hydroxy-octadecanoic acid; 106-14-9 <1/21/78/<1 9-Tetradecenoic acid, (Z)-; 544-64-9 <1/28/72/<1 9-Hexadecenoic acid, (Z)-; 2091-29-4 <1/27/71/2 9-Octadecenoic acid, (Z)-; 112-80-1 <1/24/74/3 9,12-Octadecadienoic acid; 60-33-3 <1/23/72/5 Octadecadienoic acid (Conjugated linoleic acid); 121250-47-3 <1/23/72/5

13-Docosenoic acid, (Z)-; 112-86-7 <1/25/75/<1 9,12,15-Octadecatrienoic acid, (Z,Z,Z); 463-40-1 <1/23/71/7

Alkyl ranges and source based Carboxylic acids, C5-9; 68603-84-9 4/36/60/<1 Fatty acids, C6-10; 68937-74-6 3-4/29-36/60-68/<1 Fatty acids, C6-12; 67762-36-1 3-4/28-36/60-69.7/<1

Fatty acids, C8-10; 68937-75-7 2/29-32/65-68/<1 Fatty acids, C14-18; 67701-02-4 <1-2/23-27/70-75/<1-1 Fatty acids, C16-18; 67701-03-5 1-2/23-27/70-75/<1-1 Fatty acids, C16-20; 68937-76-8 1-21/23-27/70-75/<1-1 Fatty acids, C18-22; 90990-11-7 1/23-25/74-75/<1-1 Fatty acids, C14-22; 68424-37-3 1-2/23-27/70-75/<1-1

Fatty acids, C10-16; 68002-90-4 2-3/26-29/68-71/<1-1 Fatty acids, C12-14; 90990-10-6 2-3/26-28/70-71/<1-1 Fatty acids, C8-18; 90990-08-2 1-3/23-32/65-75/<1-11 Fatty acids, C12-18; 67701-01-3 1-3/23-28/70-75/<1-11 Fatty acids, C8-18 and C18-unsaturated; 67701-05-7 <1-4/23-32/65-75/<1-7 Fatty acids, C12-18 and C18-unsaturated; CS 90990-15-1 <1-3/23-28/70-75/<1-7

Soaps, stocks, C8-18 and C18 unsaturated alkyl, acidulated; 68918-39-8

<1-4/23-32/65-75/<1-7

Fatty acids, C12-20 and C12-20 unsaturated; 68334-03-2 <1-3/23-28/70-75/<1-7 Fatty acids, C14-18 and C16-22-unsaturated; 68002-87-9 <1-2/23-27/70-75/<1-7

Fatty acids, C14-18 and C16-18-unsaturated; 67701-06-8 <1-2/23-27/70-75/1-7 Fatty acids, C16-18 and C18-unsaturated; 67701-08-0 <1-2/23-27/70-75/1-7 Fatty acids, C16 and C18-unsaturated; 67701-07-9 <1-2/23-27/70-74/1-7 Fatty acids, vegetable-oil, unsaturated; 68648-24-8 1-2/23-28/71-75/<1-7 Fatty acids, tallow; 61790-37-2 <1-2/23-27/70-75/1-7 Fatty acids, palm-oil; 68440-15-3 <1-2/23-27/70-75/1-5

Fatty acids, soya; 68308-53-2 <1-2/23-27/70-75/1-7 Fatty acids, dehydrated castor-oil; 61789-45-5 <1/23-24/72-74/3-5


37

Fatty acids, tallow, hydrogenated; 61790-38-3 1-2/23-27/70-75/1 Fatty acids, coco, heavy fractions; 68937-85-9 3/28-32/65-70/<1 Fatty acids, coco, hydrogenated; 68938-15-8 3/28-32/65-70/<1 Fatty acids, coco; 61788-47-4 3/28-32/65-70/<1

Dicarboxylic acids Carboxylic acids, di-, C4-11; 68937-72-4 <1/21/79/<1 Nonanedioic acid; 123-99-9 <1/20/80/<1 Decanedioic acid; 111-20-6 <1/19/81/<1 Carboxylic acids, C6-18 and C8-15 di-; 68937-70-2 4/36/60/<1

Fatty acid distillation residues Fatty acids, tallow, hydrogenated, distillation residues; 72379-28-3 <1-2/23-27/70-75/1 Fatty acids, C8-18 and C18 unsaturated, distillation residues; 70321-72-1 <1-4/23-32/65-75/<1-7

Sodium and potassium salts Octanoic acid, sodium salt; 1984-06-1 2/285/71/<1 Decanoic acid, sodium salt; 1002-62-6 2/24/74/<1 Dodecanoic acid, sodium salt; 629-25-4 1.31/22.8 /75.7/<1

Tetradecanoic acid, sodium salt; 822-12-8 1.20/22.2/76.1/<1 Hexadecanoic acid, sodium salt; 408-35-5 1.13/21.6/75.8/2 Octadecanoic acid, sodium salt; 822-16-2 0.649/17/76.5/6 Fatty acids, C6-12, sodium salts; 67762-44-1 1-3/23-32/65-76/<1 Fatty acids, C12-18, sodium salts; CAS 91032-12-1 1/17-23/76-77/<1-6 Fatty acids, C14-18 and C16-18-unsaturated, sodium salts; 67701-11-5 <1-1/17-22/73-77/1-7

Fatty acids, coco, sodium salts; 61789-31-9 1-2/23-28/71-76/<1 Fatty acids, vegetable-oil, sodium salts; 68082-64-4 <1-2/17-28/71-77/<1-7 Fatty acids, tallow, sodium salts; 8052-48-0 <1-1/17-22/73-77/<1-7 Fatty acids, palm-oil, sodium salts; 61790-79-2 <1-1/17-22/73-77/<1-7 Fatty acids, C8-18 and C18-unsaturated, sodium salts; 67701-10-4 <1-1/17-28/71-77/<1-7 Fatty acids, C16-18, sodium salts; 68424-38-4 <1-1/17-22/76-77/2-6

Dodecanoic acid, potassium salt; 10124-65-9 <1/18.9/80.9/<1 9-Octadecenoic acid, (Z)-, potassium salt; 143-18-0 <1/15.4/79.3/5 Fatty acids, C8-18 and C18-unsaturated, potassium salts; 67701-09-1 <1/15-24/76-81/<1-5 Fatty acids, C14-18 and C16-18-unsaturated, potassium salts; 68002-80-2 <1/15-18/80-81/1-5 Fatty acids, coco, potassium salts; 61789-30-8 <1/19-24/76-81/<1

Magnesium and calcium salts Octadecanoic acid, magnesium salt; 557-04-0 <1/16/84/<1 Hexadecanoic acid, calcium salt; 542-42-7 <1/16/84/<1 Fatty acids, tallow, calcium salts; CS 64755-01-7 <1/15-18/82-84/<1-1

Ammonium salts Dodecanoic acid, ammonium salt; 2437-23-2 <1/19/81/<1 Octadecanoic acid, ammonium salt; 1002-89-7 <1/14/77/9

2.2.5 Biodegradation

Biodegradation studies or model estimations for single and multi-component aliphatic acids generally confirm that the extent of biodegradation observed in 28 days meets the ready biodegradability criterion (>60%). In some cases, insufficient sampling points were included in the tests to determine whether or not the 10-day window was met and thus are insufficient to demonstrate ready biodegradability. When the 10-day window was not met or less than 60% biodegradation was


38

observed in 28 days, it is likely that the aliphatic acids tested were not fully in solution. The aliphatic acids also undergo biodegradation under anaerobic conditions.


39

Table 8 Summary of Biodegradation Data


40

CAS Name CAS Number

Test Guideline Conditions Result (% Biodegradation

at 28 days)

Reference

Single component Octanoic acid; 124-07-2 OECD 301 B activated sludge

(adaptation not specified; 10 or 20

mg/L), aerobic

68% in 28 d (10 mg/L); 70% in 28 d (20 mg/L); Readily

biodegradable

RCC NOTOX, 1991a

Nonanoic acid; 112-05-0 BODIS test (modified OECD

301 D)

sewage treatment plant sludge (100

mg/L), aerobic

99% in 28 d; Readily

biodegradable

Henkel, 2001b

Decanoic acid; 334-48-5 BIOWIN v4.10 (estimated)

Not applicable Readily biodegradable

EPI Suite v4.10, 2012

Dodecanoic acid; 143-07-7 OECD 301 D adapted domestic sewage (2 mg/L),

aerobic

86% at 30 days; Inadequate

information to determine whether the test passes the 10-day window

criterion; Readily biodegradable

Henkel, 2001f


combination of OECD and DIN

industrial non-adapted activated sludge, aerobic

100% at <20 d Readily

biodegradable

Bruschweiler et al., 1991

Hexadecanoic acid; 57-10-3 Similar to OECD 301 D

activated sludge (adaptation not

specified; 100 mg/L COD), aerobic

68% in 28 d (did not meet 10 d

window); Ultimately

biodegradable

Henkel, 1994a

ISO 11734; ECETOC TR28 (Evaluation of

Anaerobic Biodegradation)

digester sludge (66.8 mg/L),

anaerobic

64.7% at 69 d; Anaerobically biodegradable

Henkel, 1992a


BIOWIN v4.10 (estimated)



Octadecanoic acid; 57-11-4 OECD 301 B activated sludge (adaptation not

specified; 10 or 20 mg/L), aerobic

72% (10 mg/L); 71% (20 mg/L) in 28 d (did not meet the 10 d window);

Biodegradable

RCC NOTOX, 1989b


EPA OTS 796.3260 (Ready

Biodegradability: Modified Sturm

Test)



88% (10 mg/L); 62% (20 mg/L) in 28 d (did not meet

10 d window); Biodegradable

RCC NOTOX, 1990





9-Tetradecenoic acid, (Z)-; 544-64-9




9-Hexadecenoic acid, (Z)-; 2091-29-4




9-Octadecenoic acid, (Z)-; 112-80-1

OECD 301 B activated sludge (adaptation not


93% (10 mg/L); 75% (20 mg/L) in

28 d; Readily biodegradable

RCC NOTOX, 1991b

9,12-Octadecadienoic acid; 60-33-3

BODIS Test (modified OECD Guideline 301 D)


specified; 100 mg/L COD), aerobic

71% in 28 d (did not meet 10 d

window); Biodegradable

Henkel, 2000a

Octadecadienoic acid (Conjugated linoleic acid); 121250-47-3





41


OECD 301 D unacclimated garden mold

suspension (2 mg/L active mat.),

aerobic

90% at 30 d; Readily

biodegradable

Henkel, 2001g

EPA 560/6-82-003 (CO2 evolution

method)

mixture sewage, soil, natural water

(10 mg C/L)

70% at 14 d; Readily

biodegradable

Zhang et al., 1996

9,12,15-Octadecatrienoic acid, (Z,Z,Z); 463-40-1




Alkyl ranges and source based Carboxylic acids, C5-9; 68603-84-9

BIOWIN v4.10 Not applicable Readily biodegradable


Fatty acids, C6-10; 68937-74-6

No data located - - -

Fatty acids, C6-12; 67762-36-1


Fatty acids, C8-10; 68937-75-7


Fatty acids, C14-18; 67701-02-4


Fatty acids, C16-18; 67701-03-5


Fatty acids, C16-20; 68937-76-8


Fatty acids, C18-22; 90990-11-7


Fatty acids, C14-22; 68424-37-3

BODIS Test (modified OECD

301 D)

activated sludge (adaptation not specified; 100 mg/L), aerobic

40% in 28 d; Moderately

biodegradable, substance is poorly

soluble in water

Henkel, 1988a

Fatty acids, C10-16; 68002-90-4


Fatty acids, C12-14; 90990-10-6


Fatty acids, C8-18; 90990-08-2


Fatty acids, C12-18; 67701-01-3


Fatty acids, C8-18 and C18-unsaturated; 67701-05-7


Fatty acids, C12-18 and C18-unsaturated; CS 90990-15-1


Soaps, stocks, C8-18 and C18 unsaturated alkyl, acidulated; 68918-39-8


Fatty acids, C12-20 and C12-20 unsaturated; 68334-03-2


Fatty acids, C14-18 and C16-22-unsaturated; 68002-87-9



OECD 301 D sewage treatment plant effluent (2 or 5 mg/L), aerobic

92% (2 mg/L); 61% (5 mg/L, oxygen limited) in 28 d;

Readily biodegradable

Henkel, 1996



Fatty acids, C16 and C18-unsaturated; 67701-07-9


Fatty acids, vegetable-oil, unsaturated; 68648-24-8



42

Fatty acids, tallow; 61790-37-2

OECD 301 B non-adapted activated sludge (10

or 20 mg/L), aerobic

70.9% (10 mg/L); 74.3% (20 mg/L) in

28 d (did not meet the 10 d window);

Biodegradable, substance is poorly

water soluble

RCC NOTOX, 1989a

Fatty acids, palm-oil; 68440-15-3


Fatty acids, soya; 68308-53-2


Fatty acids, dehydrated castor-oil; 61789-45-5


Fatty acids, tallow, hydrogenated; 61790-38-3


Fatty acids, coco, heavy fractions; 68937-85-9


Fatty acids, coco, hydrogenated; 68938-15-8


Fatty acids, coco; 61788-47-4

No data located

Dicarboxylic acids Carboxylic acids, di-, C4-11; 68937-72-4


Nonanedioic acid; 123-99-9 BODIS test (modified OECD

301 D)

non-adapted activated sludge

(100 mg/L COD), aerobic


biodegradable

Henkel, 2001c

OECD 301 E municipal sewage treatment plant effluent (5 or 10

mg/L DOC), aerobic

79% at 19 d (5 mg/L); 86% at 19 d

(10 mg/L); Readily

biodegradable

Henkel, 2001d

Decanedioic acid; 111-20-6 OECD 301 D non-acclimated garden-mold

suspension (2 or 5 mg/L), aerobic

88% at 30 d (2 or 5 mg/L); Readily

biodegradable

Henkel, 2001e

EPA OTS 796.3260 activated sludge (adaptation not

specified; 20 mg C/L), aerobic

82% at 29 d Readily

biodegradable

SafePharm, 1994



Fatty acid distillation residues Fatty acids, tallow, hydrogenated, distillation residues; 72379-28-3



BODIS test (modified OECD

301D)

adapted domestic activated sludge

(100 mg/L), aerobic


biodegradable

Henkel, 2001a

Sodium and potassium salts Octanoic acid, sodium salt; 1984-06-1








Dodecanoic acid, sodium salt; 629-25-4




Tetradecanoic acid, sodium salt; 822-12-8




Hexadecanoic acid, sodium salt; 408-35-5

Method development for

anaerobic biodegradability

22-78 d, adapted domestic activated sludge (50, 70, or

100 mg/L), anaerobic

79.8% at 22 d (50 mg/L), 94% at 28d (70 mg/L), 79.2 at 77 d (100 mg/L);

Anaerobically biodegradable

Birch et al., 1989

Octadecanoic acid, sodium salt; 822-16-2





43





Fatty acids, C14-18 and C16-18-unsaturated, sodium salts; 67701-11-5


Fatty acids, coco, sodium salts; 61789-31-9




Fatty acids, tallow, sodium salts; 8052-48-0


Fatty acids, palm-oil, sodium salts; 61790-79-2


Fatty acids, C8-18 and C18-unsaturated, sodium salts; 67701-10-4




Dodecanoic acid, potassium salt; 10124-65-9


Not applicable Likely biodegrades fast; readily

biodegradable




Not applicable Structure incompatible with current estimation

method


Fatty acids, C8-18 and C18-unsaturated, potassium salts; 67701-09-1


Fatty acids, C14-18 and C16-18-unsaturated, potassium salts; 68002-80-2


Fatty acids, coco, potassium salts; 61789-30-8


Magnesium and calcium salts Octadecanoic acid, magnesium salt; 557-04-0


Not applicable Not readily biodegradable


Fatty acids, tallow, calcium salts; CS 64755-01-7


Hexadecanoic acid, calcium salt; 542-42-7


Not applicable Not Readily biodegradable


Ammonium salts Dodecanoic acid, ammonium salt; 2437-23-2




Decanoic acid, sodium salt; 1002-62-6




2.2.6 Bioaccumulation

Measured bioconcentration (BCF) factor data were not located for the aliphatic acids. Estimated bioconcentration factor values are provided in Table 9 (EPI Suite v4.10, 2012). The aliphatic acids have BCF values less than 100, indicating a low potential for bioaccumulation. These low BCF values likely overestimate the potential for the aliphatic acids to bioaccumulate because of the rapid and extensive metabolism of aliphatic acids in animals and plants (see Section 3.1.1).


44

Table 9 Summary of Bioconcentration factors


45

Name and CAS Number

Modeled BCF

Octanoic acid; 124-07-2 3.16 Nonanoic acid; 112-05-0 3.16 Decanoic acid; 334-48-5 3.16 Dodecanoic acid; 143-07-7 3.16

Tetradecanoic acid; 544-63-8 56.2 Hexadecanoic acid; 57-10-3 56.2 Heptadecanoic acid; 506-12-7 56.2 Octadecanoic acid; 57-11-4 10 Isooctadecanoic acid; 30399-84-9 56.2 12-hydroxy-octadecanoic acid; 106-14-9 56.2

9-Tetradecenoic acid, (Z)-; 544-64-9 10 9-Hexadecenoic acid, (Z)-; 2091-29-4 56.2 9-Octadecenoic acid, (Z)-; 112-80-1 56.2 9,12-Octadecadienoic acid; 60-33-3 56.2 Octadecadienoic acid (Conjugated linoleic acid); 121250-47-3 56.2 13-Docosenoic acid, (Z)-; 112-86-7 3.16

9,12,15-Octadecatrienoic acid, (Z,Z,Z); 463-40-1 56.2

Alkyl ranges and sourced based Carboxylic acids, C5-9; 68603-84-9 3.16 Fatty acids, C6-10; 68937-74-6 3.16 Fatty acids, C6-12; 67762-36-1 3.16 Fatty acids, C8-10; 68937-75-7 3.16

Fatty acids, C14-18; 67701-02-4 10(C18)-56.2 Fatty acids, C16-18; 67701-03-5 10(C18)-56.2 Fatty acids, C16-20; 68937-76-8 3.16(C20)-56.2(C16) Fatty acids, C18-22; 90990-11-7 3.16(C22)-10(C18) Fatty acids, C14-22; 68424-37-3 3.16(C22)-56.2(C14) Fatty acids, C10-16; 68002-90-4 3.16(C10)-56.2(C16)

Fatty acids, C12-14; 90990-10-6 3.16(C12)-56.2(C14) Fatty acids, C8-18; 90990-08-2 3.16(C8)-56.2(C17) Fatty acids, C12-18; 67701-01-3 3.16(C12)-10(C18) Fatty acids, C8-18 and C18-unsaturated; 67701-05-7 3.16(C8)-56.2(C18:3) Fatty acids, C12-18 and C18-unsaturated; CS 90990-15-1 3.16(C12)-56.2(C18:3) Soaps, stocks, C8-18 and C18 unsaturated alkyl, acidulated; 68918-39-8 3.16(C8)-56.2(C18:3)

Fatty acids, C12-20 and C12-20 unsaturated; 68334-03-2 3.16-56.2 Fatty acids, C14-18 and C16-22-unsaturated; 68002-87-9 3.16(C22:1)-56.2(C14) Fatty acids, C14-18 and C16-18-unsaturated; 67701-06-8 10(C18)-56.2 Fatty acids, C16-18 and C18-unsaturated; 67701-08-0 10(C18)-56.2 Fatty acids, C16 and C18-unsaturated; 67701-07-9 56.2 Fatty acids, vegetable-oil, unsaturated; 68648-24-8 3.16(C12:1)-56.2(C18:3)

Fatty acids, tallow; 61790-37-2 10(C18)-56.2 Fatty acids, palm-oil; 68440-15-3 10(C18)-56.2 Fatty acids, soya; 68308-53-2 10(C18)-56.2 Fatty acids, dehydrated castor-oil; 61789-45-5 56.2 Fatty acids, tallow, hydrogenated; 61790-38-3 10(C18)-56.2


46

Fatty acids, coco, heavy fractions; 68937-85-9 3.16 Fatty acids, coco, hydrogenated; 68938-15-8 3.16 Fatty acids, coco; 61788-47-4 3.16

Dicarboxylic acids Carboxylic acids, di-, C4-11; 68937-72-4 3.16 Nonanedioic acid; 123-99-9 3.16 Decanedioic acid; 111-20-6 3.16 Carboxylic acids, C6-18 and C8-15 di-; 68937-70-2 3.16

Fatty acid distillation residues Fatty acids, tallow, hydrogenated, distillation residues; 72379-28-3 10(C18)-56.2

Fatty acids, C8-18 and C18 unsaturated, distillation residues; 70321-72-1 3.16(C8)-56.2(C18:3)

Sodium and potassium salts Octanoic acid, sodium salt; 1984-06-1 3.16 Decanoic acid, sodium salt; 1002-62-6 3.16 Dodecanoic acid, sodium salt; 629-25-4 3.16 Tetradecanoic acid, sodium salt; 822-12-8 56.23

Hexadecanoic acid, sodium salt; 408-35-5 56.23 Octadecanoic acid, sodium salt; 822-16-2 10 Fatty acids, C6-12, sodium salts; 67762-44-1 3.16 Fatty acids, C12-18, sodium salts; CAS 91032-12-1 3.16-56.2 Fatty acids, C14-18 and C16-18-unsaturated, sodium salts; 67701-11-5 10-56.2 Fatty acids, coco, sodium salts; 61789-31-9 3.16

Fatty acids, vegetable-oil, sodium salts; 68082-64-4 3.16-56.2 Fatty acids, tallow, sodium salts; 8052-48-0 10-56.2 Fatty acids, palm-oil, sodium salts; 61790-79-2 10-56.2 Fatty acids, C8-18 and C18-unsaturated, sodium salts; 67701-10-4 3.16-56.2 Fatty acids, C16-18, sodium salts; 68424-38-4 10-56.2 Dodecanoic acid, potassium salt; 10124-65-9 3.162

9-Octadecenoic acid, (Z)-, potassium salt; 143-18-0 56.23 Fatty acids, C8-18 and C18-unsaturated, potassium salts; 67701-09-1 3.16-56.2 Fatty acids, C14-18 and C16-18-unsaturated, potassium salts; 68002-80-2 10-56.2 Fatty acids, coco, potassium salts; 61789-30-8 3.16

Magnesium and calcium salts Octadecanoic acid, magnesium salt; 557-04-0 3.377

Fatty acids, tallow, calcium salts; CS 64755-01-7 3.38(C18)-72(C14) Hexadecanoic acid, calcium salt; 542-42-7 30.98

Ammonium salts Dodecanoic acid, ammonium salt; 2437-23-2 3.162 Octadecanoic acid, ammonium salt; 1002-89-7 70.79

2.2.7 Other Information on Environmental Fate

An environmental monitoring study on aliphatic acid salts (soap) and four other detergent and cleaning product ingredients (surfactants) was jointly conducted by the Dutch Soap Association and the Dutch authorities (Matthijs et al. 1999). Flow proportional samples of raw, settled and treated sewage from seven representative municipal sewage treatment plants in the Netherlands were collected over three consecutive days in April to June 1994. The concentration of soap was


47

determined by gas chromatography of the methyl esters with flame ionization detection. Quantitation was done versus an external calibration curve prepared from a mixture of aliphatic acid salts with alkyl chain length range from C10 to C20 and including the unsaturated 9-octadecenoic acid (C18, 1 double bond) and 9,12-octadecadienoic acid (C18, 2 double bonds). Glycerides and free fatty acids were eliminated in the sample preparation via petroleum ether extraction. The methyl esters of the aliphatic acid salts were formed by soxhlet extraction with petroleum ether:acetic acid (9:1 v/v) to convert the salts to aliphatic acids followed by reaction with boron-trifluoride:methanol (20%, v/v) to form the methyl esters. Measured soap levels in treatment plant influent averaged (mean value) 28 mg/L. This influent value is higher than predicted from the consumption of consumer products containing soap in the Netherlands, likely due to the microbial breakdown of fats and oils in sewage releasing fatty acids, which form the fatty acid anion (same chemical species as formed by aliphatic acid salts) under neutral pH conditions. The primary removal of soap in settled sewage was 51%. According to the authors of the study, the high primary removal observed is expected and is due mainly to precipitation of the fatty acids as calcium salts possibly combined with removal via settling of solids. Treatment plant effluent concentrations of soap averaged 174 µg/L. Overall total removal of soap during sewage treatment was 99.0%.

The predicted 90th percentile soap concentration at 1000 meters downstream of the sewage treatment plant outfall has been calculated for the Netherlands (Feijtel et al., 1999). This modelling prediction is based on measured concentrations in sewage effluents (Matthijs et al. 1999), the reported stream dilution factors for all municipal wastewater treatment plants in the Netherlands and three predicted in-stream removal rates: k = 0/day (no removal), k = 0.14/day (removal half-life = 20.9 hours) and k = 0.70/day (removal half-life = 11.9 hours). Predicted 90th percentile soap concentrations for soap range from 20 µg/L (k = 0.70/day) to 50 µg/L (k = 0/day). These values likely overestimate the contribution of soap from consumer products due to the production of aliphatic acids by the microbial breakdown of fats and oils during sewage treatment.

2.3 Human Exposure

2.3.1 Occupational Exposure

Aliphatic acids are manufactured in established chemical manufacturing facilities that have standard engineering controls and procedures in place to ensure safe handling and use of chemicals. The precautions used to protect the purity, color and stability of the acids calls for the use of corrosion-resistant vessels and piping of the type used for any quality-controlled chemical reaction. Aliphatic acids are generally shipped and stored in lacquer-lined drums. Solid aliphatic acids in cake, flake, or powder form are easily handled and stored in paper cartons, multi-wall bags, or fiber drums.

Aliphatic acids are inflammable; the high flash point of typical acids creates no critical problems of fire protection, beyond normal precautions for handling fats and oils. Most fatty acids are harmless to the skin, although the lower molecular fractions are irritating and direct contact can be avoided through use of standard personal protective equipment. For routine operations, including those involving a breach of the closed system goggles or safety glasses, gloves, safety boots and helmets are worn. Aliphatic acids have a low volatility and as a rule engineering controls are available that prevent the need for respiratory protection. For non-routine operations involving a break in the closed system a higher level of protection is applied and usually extra measures are taken to prevent breathing of vapours, if (local) ventilation is inadequate.


48

Formulation of large volumes of product occurs frequently in a continuous process using a closed system. For formulating smaller volumes, a batch process is used. Closed reactors and/or mixing tank with closed charging systems are typically used for the formulation of aliphatic acids. Products containing aliphatic acids are typically packaged and transported in drums, whereas products produced in higher volumes are stored in tanks and transported in bulk by truck, barge or rail.

Exposure to aliphatic acids through the use of formulated products in industry and commerce is mitigated by following the recommended use and precaution instructions detailed in the material safety data sheet (MSDS). MSDS’ reflect the hazard potential of the chemical ingredients in the product and provide details on the precautions necessary when handling these products and the instructions for first aid in case of an accidental exposure.

2.3.2 Consumer Exposure

Major routes of consumer exposure to aliphatic acids are from the use of aliphatic acid salts (soaps) in bar soaps and in household cleaning products. Bar soaps consist almost entirely (approximately 100%) of the C10-22 aliphatic acid sodium or potassium salts (soap). According to data compiled by the HERA project in Europe (HERA 2002), soaps are also used in fabric washing powders, tablets and liquid/gels, in fabric conditioners, laundry additives and in surface and toilet cleaner liquids. The level of soap found in fabric washing products ranges from approximately 0.1-10.5% in regular powder, 2-20% in regular liquid, 0.1-3.4% in compact powder, 4-10% in compact liquid, 0.7-2% in tablets and 13.1-15.1% in compact gels. The maximum level found in fabric conditioners is 0.75%, while levels of 0.1-3.0% can be found in surface cleaners (with the gel containing potentially the highest levels) and 0.55-1.9% in toilet cleaners.

Indirect consumer exposure to aliphatic acids may occur from exposures to residual levels of down-the-drain products in receiving waters from effluents of sewage treatment plants.

3 HUMAN HEALTH HAZARDS

3.1 Effects on Human Health

Due to the structural similarities of the aliphatic acids, their physico-chemical properties are similar and a clear correlation with hydrocarbon chain length is observed. Melting point, boiling point and density increase with increasing chain length. The vapor pressures of the aliphatic acids decrease with increasing carbon number and generally are low (<0.1 hPa for the acids, <1 x 10-6 hPa for the salts). Water solubility decreases with increasing carbon numbers. Solubility of the soaps, especially the sodium and potassium salts, and the dicarboxylic acids are several orders of magnitude higher.

The aliphatic acids share a common degradation pathway in which they are metabolized to acetyl-CoA or other key metabolites in all living systems (Lehninger 1970, Nelson and Cox, 2008). Fatty acid distillation residues contain the same chain ranges (tallow, C8-18, C18-unsat) as supporting substance CAS No. 67701-05-7, Fatty acids, C8-18 and C18-unsaturated (Alkyl range and source based), but purity is lower. The supporting substances for Alkyl range and sourced based, and Fatty acid distillation residues are the same. Sodium, potassium, magnesium, calcium and ammonium aliphatic acid salts contain the same chain length (or range) as a corresponding sponsored Single component or Alkyl range or source based substances. As such, read across to the corresponding sponsored substance(s) or supporting substance(s) is reasonable.


49

3.1.1 Toxicokinetics

Aliphatic acids play an extremely important role as an energy source, particularly in higher animals and plants, and the absorption, distribution, metabolism and elimination of aliphatic acids have been well understood for years (Lehninger 1970, Nelson and Cox, 2008). In vertebrate animals, aliphatic acids are rapidly absorbed through the gut and transported throughout the animal body by serum albumin. Aliphatic acids are converted to acyl-CoA derivatives (aliphatic acyl-CoA), transported into cells and mitochondria by specific transport systems and then completely metabolized to acetyl-CoA or other key metabolites by catabolic enzymes that efficiently remove 2-carbon units from the aliphatic acyl-CoA molecule (β-oxidation pathway). Catabolic pathways are also known for efficient metabolism of aliphatic acids with odd-numbers of carbon chains (such as heptadecanoic acid, C17), one or more double bonds [such as the octadecenoic acid (C18, 1 double bond), octadecadienoic acid (C18, 2 double bonds) and octadecatrienoic acid (C18, 3 double bonds)], hydroxyl groups (such as 12-hydroxyoctadecanoic acid, C18) and methyl branching (such as isooctadecanoic acid, C18, methyl branch).

Aliphatic acids are also an important component of lipids that are essential for cell membrane and other functions and for maintaining the barrier function of skin (Schaefer and Redelmeier, 1996). In contrast to the rapid uptake of aliphatic acids via the oral exposure route, aliphatic acids are poorly absorbed thorough skin, less than 1% in 24-hours exposure (Schaefer and Redelmeier 1996).

Conclusion

Aliphatic acids are rapidly absorbed through the gut and transported throughout the body. Aliphatic acids are converted to acyl-CoA derivatives, transported into cells and mitochondria and then metabolized to acetyl-CoA or other key metabolites.

3.1.2 Acute Toxicity

Acute toxicity data are available for the inhalation (one single component substance), and oral (single and multi-component substances) routes of exposure. Acute dermal toxicity studies were not located. Acute oral toxicity data for the sponsored and supporting aliphatic acids are summarized below (key studies) and in Table 10 (key and supporting studies).

Studies in Animals

Inhalation

Single component

Sponsored substances

Octadecanoic acid, magnesium salt (CAS No 557-04-0). Groups of ten albino rats/sex were exposed to the test substance for 1 hour at concentrations of 2 or 200 mg/L (Busch, 1982). A test guideline was not specified. There were 8 deaths at 200 mg/L and 2 deaths at 2 mg/L. Additional details were not located. The 1 hour LC50 was > 2 mg/L.

Oral

Single component


50


Octanoic acid (CAS No 124-07-2): In an OECD 401 study, a group of five Wistar rats/sex was administered the test substance by oral (gavage) at a dose of 2000 mg/kg bw (RCC NOTOX, 1988a). There were no deaths, clinical signs, effects on body weight or findings at gross necropsy. The LD50 was > 2000 mg/kg bw.

Decanoic acid (CAS No 334-48-5): In a study conducted according to the acute oral LD50 (1964) Federal Hazardous Substance Act, groups of five male albino rats were administered the test substance by oral (gavage) at doses of 464, 1000, 2150, 4640 and 10, 000 mg/kg bw (IBR-US, 1974a). There were no deaths. There were no clinical signs observed at 464 or 1000 mg/kg bw. At 2150 mg/kg bw, clinical signs included wheezing, salivation, serum, blood and urine stains on the day of dosing only. The majority of animals in the 4640 and 10,000 mg/kg bw groups showed excessive salivation and diarrhea on the day of dosing. Depression, depressed righting and placement reflexes, and unkempt fur was noted in rats in the 10,000 mg/kg bw group. All animals were normal by four days post-dosing. There were no effects on body weight. Gross necropsy findings were not reported. The LD50 was > 10,000 mg/kg bw.

Dodecanoic acid (CAS No 143-07-7): In an OECD 401 study, a group of five Wistar Kyoto rats/sex was administered the test substance by oral (gavage) at a dose of 5000 mg/kg bw (Henkel KGaA, 1981b). There were no deaths. Approximately 20 minutes following treatment, animals exhibited slight piloerection, and then appeared normal at 24 hours. There were no effects on body weight. At necropsy, stomach mucous membrane appeared slightly reddened. The LD50 was > 5000 mg/kg bw.

Tetradecanoic acid (CAS No 544-63-8): In a study conducted according to the Acute oral LD50 (1964) Federal Hazardous Substance Act, groups of five male albino rats were administered the test substance by oral (gavage) at doses of 464, 1000, 2150, 4640 and 10, 000 mg/kg bw (IBR-US, 1974a). There were no deaths. There were no clinical signs at 464, 1000, 2150 mg/kg bw. Slight diarrhea and excessive salivation on the day of dosing and the first day post-dose was observed at 4640 mg/kg bw. The majority of animals in the 10,000 mg/kg group showed slight depression, mucoid diarrhea, unkempt fur stained with diarrhea, and serum and blood discharge from the nose and eyes; by the third post-dosage day, all animals appeared normal. There was no effect on body weight and no findings at gross necropsy. The LD50 was > 10,000 mg/kg bw.

Hexadecanoic acid (CAS No 57-10-3): In an OECD 401 study, a group of five Wistar rats/sex was administered the test substance by oral (gavage) at a dose of 5000 mg/kg bw (Henkel KGaA, 1981c). There was one death. Animals exhibited slight piloerection and reduced activity, and then appeared normal at 24 hours. There was no effect on body weight. At necropsy, animals exhibited swelling of the stomach mucous membranes. The LD50 was > 5000 mg/kg bw.

Octadecanoic acid (CAS No 57-11-4): In an OECD 401 study, a group of five Wistar rats/sex was administered the test substance (as a 50% suspension in DMSO) by oral (gavage) at a dose of 5000 mg/kg bw (Henkel, 1981f). There was one death; approximately 20 minutes post treatment, animals exhibited piloerection, excessive salivation, and diminished activity. Animals appeared normal at 24 hours. There were no adverse effects on body weight. At necropsy, the male animal that died exhibited a stomach full of test substance; surviving animals showed remnants of test substance in the stomach with swelling of the mucous membrane. The LD50 was > 5000 mg/kg bw.

Isooctadecanoic acid (CAS No 30399-84-9): In an OECD 401 study, a group of five Wistar rats/sex was administered the test substance by oral (gavage) at a dose of 2000 mg/kg bw (RCC NOTOX, 1988b). There were no clinical signs, deaths, adverse effects on body weight or findings at necropsy. The LD50 was > 2000 mg/kg bw.


51

9-Octadecenoic acid, (Z)- (CAS No 112-80-1): In an OECD 401 study, a group of five Wistar rats/sex was administered the test substance by oral (gavage) at a dose of 2000 mg/kg bw (RCC NOTOX, 1988c). There were no clinical signs, deaths, adverse effects on body weight or findings at necropsy. The LD50 was > 2000 mg/kg bw.

Supporting substances

Docosanoic acid (CAS No 112-85-6): In an OECD 401 study, a group of five Crj: CD(SD) rats/sex was administered the test substance by oral (gavage) at a dose of 2000 mg/kg bw (JETOC, 2000). There were no clinical signs, deaths, adverse effects on body weight or findings at necropsy. The LD50 was > 2000 mg/kg bw.



Fatty acids, C14-18 (CAS No 67701-02-4): In a study conducted according to 79/831/EWG, Annex V, Part B (similar to OECD 401), two male and two female Wistar rats were administered the test substance by oral gavage at a dose of 2000 mg/kg bw (as a 20% suspension in peanut oil; Henkel, 1987). There were no deaths, adverse effects on body weight or findings at necropsy. The LD50 was > 2000 mg/kg bw.

Fatty acids, C18-22 (CAS No 90990-11-7): In an OECD 401 study, a group of five Wistar rats/sex was administered the test substance (as a 50% suspension in DMSO) by oral (gavage) at a dose of 5000 mg/kg bw (Henkel, 1981g). There were no deaths. Approximately 20 minutes post treatment; animals exhibited piloerection and diminished activity. Animals appeared normal at 24 hours. There were no adverse effects on body weight. During necropsy, a foreign substance was found in the stomach. The mucous membranes of the stomachs appeared red and swollen. The LD50 was > 5000 mg/kg bw.

Fatty acids, C14-18 and C16-18-unsaturated (CAS No 67701-06-8): In an OECD 401 study, a group of five Wistar rats/sex was administered the test substance (as a 25% suspension in water) by oral (gavage) at a dose of 5000 mg/kg bw (Henkel, 1981d). There were no clinical signs, deaths, adverse effects on body weight or findings at necropsy. The LD50 was > 5000 mg/kg bw.

Fatty acids, C16-18 and C18-unsaturated (CAS No 67701-08-0): In an OECD 401 study, a group of five Wistar rats/sex was administered the test substance (as a 25% suspension in water) by oral (gavage) at a dose of 5000 mg/kg bw (Henkel, 1981e). There were no clinical signs, deaths, adverse effects on body weight or findings at necropsy. The LD50 was > 5000 mg/kg bw.


Fatty acids, tall-oil (CAS No 61790-12-3): In a study similar to OECD 401, a group of five Sprague-Dawley rats/sex was administered the test substance by oral (gavage) at a dose of 10,000 mg/kg bw (Pharmakon, 1983a). One hour post-dosing, piloerection was observed in one male and abnormal stance was observed in one male and one female. There were no other clinical signs, deaths, adverse effects on body weight or findings at necropsy. The LD50 was > 10,000 mg/kg bw.

Fatty acids, rape-oil (CAS No 85711-54-2): In an acute oral study (no guideline specified), a group of five Wistar rats/sex was administered the test substance by oral (gavage) (in 2% carboxymethylcellulose) at a dose of 2000 mg/kg bw (Navrade, 1982). There were no clinical signs, deaths, adverse effects on body weight or findings at necropsy. The LD50 was >2000 mg/kg bw.

Dicarboxylic acids


52


Nonanedioic acid (CAS No 123-99-9): In a study conducted similar to OECD 401, a group of two male Wistar rats were administered the test substance by oral (gavage) at a dose of 5000 mg/kg bw (Gaworski, 1979). There were no deaths; information regarding clinical signs, effects on body weight or findings at gross necropsy was not located. The LD50 was > 5000 mg/kg bw.

Decanedioic acid (CAS No 111-20-6): In a study conducted similar to OECD 401, a group of five Wistar rats/sex was administered the test substance by oral (gavage) at 400, 800, 1600, or 3200 mg/kg bw (Eastman Kodak, 1981). Clinical signs of weakness and diarrhea were reported. There were no further details. The LD50 was 2260 mg/kg bw.

Hexanedioic acid (CAS No 124-04-9): In a study conducted similar to OECD 401, a group of five Sprague-Dawley rats/sex was administered the test substance (20% in corn oil) by oral (gavage) at 3160, 3980, 5010, and 6310 mg/kg bw (Eastman Kodak, 1981). Mortality ratios of 0/5, 2/5, 3/5, and 5/5 occurred at 3160, 3980, 5010, and 6310 mg/kg. Clinical signs included reduced appetite and activity. Necropsy findings on decedents included hemorrhagic lungs, discolored livers, and acute gastrointestinal inflammation; there were no findings in survivors. The LD50 was 5050 mg/kg bw.


Butanedioic acid (CAS No 110-15-6): In an acute oral (guideline not specified), a group of three or five rats (strain not specified)/sex were administered the test substance by oral (gavage) at a dose of 2000 mg/kg bw (Potokar, 1982). There were no deaths, clinical signs, effects on body weight or findings at gross necropsy. The LD50 was > 2000 mg/kg bw.

Pentanedioic acid (CAS No 110-94-1): In a study conducted similar to OECD 401, a group of five Sprague-Dawley rats/sex was administered the test substance (50% aqueous solution) by oral (gavage) at 2000, 2510, 3160, and 3980 mg/kg bw (Solutia, 1968). Mortality ratios were 0/5, 3/5, 3/5, and 5/5 for the 2000, 2510, 3160, and 3980 mg/kg groups, respectively. Tremors were observed in the first 2 hours. Other signs noted included salivation and diarrhea. Necropsy findings included inflammation of gastric mucosa and liver hyperemia. The LD50 was 2750 mg/kg bw.

Octadecanedioic acid (CAS No 871-70-5): In an OECD 401 study, a group of five Sprague-Dawley rats/sex was administered the test substance (in corn oil) by oral (gavage) at a dose of 5000 mg/kg bw (Biologic Safety, 1999). There were two deaths; clinical signs in these animals included loose stools, hypoactivity and piloerection. At necropsy, findings in the two animals that died included distended, red stomachs and gastrointestinal tracts. The gastrointestinal tracts also contained solid blockages that were likely solidified test substance. There were no deaths, clinical signs, effects on body weight or findings at gross necropsy in the remaining eight animals. The LD50 was > 5000 mg/kg bw.



Fatty acids, C8-18 and C18 unsaturated, distillation residues (CAS No 70321-72-1): In a study conducted according to Directive 84/449/EEC, B.1, a group of five Wistar rats/sex were administered the test substance by oral gavage at a limit dose of 2000 mg/kg bw (Henkel, 1988b). There were no deaths, clinical signs or effects on body weight. The LD50 was > 2000 mg/kg bw.




53

Fatty acids, C16-18 and C18-unsaturated, sodium salts (CAS No 68424-26-0): In a study similar to OECD 401 (acute toxic class) study, a group of five Wistar rats/sex was administered the test substance (in carboxymethylcellulose) by oral (gavage) at a dose of 2000 mg/kg bw (ZR-FE, 1982). There were no deaths, clinical signs or effects on body weight. The LD50 was > 2000 mg/kg bw.



Octadecanoic acid, magnesium salt (CAS No 557-04-0). Groups of albino rats (number, sex and strain not specified) were exposed to the test substance by oral (gavage) at doses of 50 to 1000 mg/kg bw (Busch, 1982). A test guideline was not specified. Mild diarrhea was observed in animals at the highest dose. The LD50 was > 10,000 mg/kg bw.


9,10-Dihydroxy-octadecanoic acid, ammonium salt (CAS No 84753-04-8): In an OECD 401 study, a group of five Wistar rats/sex was administered the test substance (50% in water) by oral (gavage) at a dose of 2000 mg/kg bw (Henkel, 1990). There were no deaths; clinical signs were limited to severe emaciation in one animal. Findings at necropsy included fluid in the uterus in one female and evidence of cystitis (pyelonephritis), mucus in the urinary bladder, and a slight light brown discoloration of the spleen in another female. The LD50 was > 2000 mg/kg bw.


54

Table 10 Summary of Acute Oral


55

CAS Name CAS Number

Test Guideline Species/sex LD50 (mg/kg bw)

Reference

Single component Sponsored substances Octanoic acid; 124-07-2 OECD 401 Rat,

male/female > 2000

RCC NOTOX, 1988a

OECD 401 Rat, male/female

> 5000

Henkel, 1981a

Acute oral LD50 (1964) Federal

Hazardous Substance Act

Rat, male > 14700 IBR-US, 1974a

Decanoic acid; 334-48-5 Acute Oral LD50 (1964) Federal


Rat, male, > 10000 IBR-US, 1974a

Dodecanoic acid; 143-07-7 OECD 401 Rat, male/female

> 5000 Henkel, 1981b

Acute Oral LD50 (1964) Federal



Tetradecanoic acid; 544-63-8 Acute Oral LD50 (1964) Federal



Hexadecanoic acid; 57-10-3 OECD 401 Rat, male/female

> 5000 Henkel, 1981c

EPA OPP 81-1 (Acute Oral

Toxicity)

Rat, male > 10,000 IBR-US, 1974b

Octadecanoic acid; 57-11-4 OECD 401 Rat, male/female

> 5000 Henkel, 1981f



Rat, male > 10,000 IBR-US, 1974a



> 2000 RCC NOTOX, 1988b



> 2000

RCC NOTOX, 1988c

Not specified Rat, not specified

> 5000 Elder, 1987



Rat, male > 19,100 IBR-US, 1974a



> 5000 Henkel, 1981h

Supporting substances Docosanoic acid; 112-85-6 OECD 401 Rat,

male/female > 2000 JETOC, 2000

Alkyl ranges and source based Sponsored substances Fatty acids, C14-18; 67701-02-4 79/831/EWG,

Annex V, Part B; similar to OECD 401

Rat, male/female

> 2000 Henkel, 1987

Fatty acids, C18-22; 90990-11-7 OECD 401 Rat, male/female

> 5000 Henkel, 1981g



> 5000 Henkel, 1981d



> 5000 Henkel, 1981e

Supporting substances Fatty acids, tall-oil; 61790-12-3 Similar to OECD

401 Rat,

male/female > 10000 Pharmakon, 1983a


56

Fatty acids, rape-oil; 85711-54-2

Not specified Rat, male/female

> 2000 Navrade, 1982

Dicarboxylic acids Sponsored substances Nonanedioic acid; 123-99-9 Similar to OECD

401 Rat, male > 5000 Gaworski et al., 1979

Decanedioic acid; 111-20-6 Similar to OECD 401

Rat, male/female

> 2000 Potokar, 1982

Supporting substances Butanedioic acid; 110-15-6 Not specified Rat,

male/female 2260 Eastman Kodak, 1981

Pentanedioic acid; 110-94-1 Similar to OECD 401

Rat, male/female

2750 Solutia, 1968

Hexanedioic acid; 124-04-9 Similar to OECD 401

Rat, male/female

5050

Solutia, 1975

Not specifed Mouse, male 1900 Horn, 1957 Octadecanedioic acid; 871-70-5 OECD 401 Rat,

male/female > 5000 Biologic Safety

Research, 1999 Dodecanedioic acid; 693-23-2 Not specified Rat,

male/female > 3000 OECD/SIDS, 1994

Not specified Rat, male > 17000 OECD/SIDS, 1994 Fatty acid distillation residues1

Sponsored substances Fatty acids, C8-18 and C18 unsaturated, distillation residues; 70321-72-1

Directive 84/449/EEC, B.1

Rat, male/female

> 2000 Henkel, 1988b

Sodium and potassium salts2

Sponsored substances(no data located)

Supporting substances Fatty acids, C16-18 and C18-unsaturated, sodium salts; 68424-26-0

Similar to OECD 401

Rat, male/female

> 2000 ZR-FE, 1982

Magnesium and calcium salts2

Sponsored substances Octadecanoic acid, magnesium salt; 557-04-0

Not specified Rat, not specified

> 10000 Busch, 1982

Supporting substances(no data located) Ammonium salts2

Sponsored substances(no data located) Supporting substances 9,10-Dihydroxy-octadecanoic acid, ammonium salt; 84753-04-8


> 2000 Henkel, 1990


(2) Sodium, potassium, magnesium, calcium and ammonium aliphatic acid salts contain the same chain length (or range) as a corresponding sponsored Single component or Alkyl range or source based substances.

Conclusion

The one hour LC50 for octadecanoic acid, magnesium salt (CAS No 557-04-0) in rats was > 2 mg/L - < 200 mg/L (no guideline specified). The acute oral LD50 values in rats for both sponsored and supporting substances were greater than >2000 mg/kg bw (similar to OECD 401). Clinical signs were generally associated with poor condition following administration of high doses (salivation, diarrhea, staining, piloerection and lethargy). There were no adverse effects on body weight. In some studies, excess test substance and/or irritation in the gastrointestinal tract was observed at necropsy.

3.1.3 Irritation

Skin and eye irritation studies were located for sponsored and supporting aliphatic acids.


57

Skin Irritation

Studies in Animals

Single component


Octanoic acid (CAS No 124-07-2): In an OECD 404 study, 0.5 ml of the test substance was applied under semi-occlusive cover to the skin of three rabbits (strain not specified) for four hours (ECETC, 1995). Mild erythema and slight to moderate edema was observed at the one hour reading for all three animals. Necrosis was observed at the 48 hour reading and by the 72 hour reading, all three animals showed eschar formation in addition to severe erythema. Edema was no longer present at the 72 hour reading. The test substance was considered severely irritating.

Decanoic acid (CAS No 334-48-5): In a study conducted according to Federal Hazardous Substances Act F.R. Sept. 17, 1964, 0.5 ml of the test substance was applied under occlusive cover to the abraded skin of six albino rabbits for 24 hours (IBR-US, 1974c). Erythema-eschar of intact skin was observed in all six animals at the 24 hour reading. Five of these animals also showed necrosis or blanching. Severe erythema-eschar of abraded skin with necrosis or blanching was observed in all six animals. At the 72 hour reading, one animal had died and the remaining five animals showed coriaceous tissue on both intact and abraded skin. Slight edema of intact skin was observed in one animal, and slight edema was observed this animal and one other animal at the 24 hour reading. At the 72 hour reading, three animals showed edema on both intact and abraded skin. The test substance was considered highly irritating.

Dodecanoic acid (CAS No 143-07-7): In an OECD 404 study, 0.5 g of the test substance was applied under occlusive cover to the skin of four Kleinrussen, Chbb:HM rabbits for four hours (Henkel KGaA, 1988l). Mild erythema was observed in all four animals at the one hour reading. In one animal, the erythema did not increase in severity and had disappeared by the 72 hour reading. In the remaining three animals, the erythema became more severe by the 24 hour reading, but was reduced by the 72 hour reading. At the 10 day reading, the erythema was no longer observed in any of the animals. Edema was also observed in these three animals and followed the same pattern as the erythema. In these three animals, the skin turned yellowish by the one hour reading and remained so through the 72 hour reading. By the seven day reading, the skin color of these three animals had returned to normal, though scabbing was now present. The eschar persisted for up to 17 days after exposure to the test substance. The skin of all four animals was returned to normal by 21 days after exposure. The test substance was considered moderately irritating.

Tetradecanoic acid (CAS No 544-63-8): In a Patch test / Revised (1964) Federal Hazardous Substance Act, 0.5 ml of the test substance was applied under occlusive cover to the abraded skin of six New Zealand White rabbits for 24 hours (IBR-US, 1974a). No signs of skin irritation were observed on intact or abraded sites, and the test substance was considered not irritating.

Hexadecanoic acid (CAS No 57-10-3): In an OECD 404 study, 0.5 g of the test substance was applied under occlusive cover to the skin of four Kleinrussen, Chbb:HM rabbits for 72 hours (Henkel KGaA, 1988l). No signs of skin irritation were observed; the test substance was considered not irritating.

Octadecanoic acid (CAS No 57-11-4): In a study conducted according to Federal Hazardous Substances Act F.R. Sept. 17, 1964, 0.5 ml of the test substance was applied under occlusive cover to the intact and abraded skin of six albino rabbits for 72 hours (IBR-US, 1974d). No signs of skin irritation were observed; the test substance was considered not irritating.


58

Isooctadecanoic acid (CAS No 30399-84-9): In an OECD 404 study, 0.5 ml of the test substance was applied under semi-occlusive cover to the skin of three rabbits (strain not specified) for four hours (ECETC, 1995). Mild erythema and mild to moderate edema of all three animals was observed at the one hour reading; by the 24 hour reading, both edema and erythema extended beyond the application site and was still present at the 7 day reading. At the 14 day reading, erythema and edema were no longer observed in any animal and new skin formation was noted in one animal. The test substance was considered moderately irritating.

9-Octadecenoic acid, (Z)- (CAS No 112-80-1): In a study conducted according to Federal Hazardous Substances Act F.R. Sept. 17, 1964, 0.5 ml of the test substance was applied under occlusive cover to the abraded skin of six albino rabbits for 24 hours (IBR-US, 1974a). Slight erythema of both intact and abraded skin in all six animals was observed at the 24 hour reading. By the 72 hour reading, erythema was no longer present. The test substance was considered mildly irritating.

13-Docosenoic acid, (Z)- (CAS No 112-86-7): In an OECD 404 study, 0.5 g of the test substance was applied under semi-occlusive cover to the skin of three Kleinrussen, Chbb:HM rabbits for 72 hours (Pitterman, 1992). One hour after application, all three animals showed slight to weak erythema and edema. The erythema, edema, and eschar persisted longer than 21 days. In addition, a brownish skin discoloration was observed in one animal at 72 hours after exposure. The test substance was considered slightly irritating.


Hexanoic acid (CAS No 142-62-1): In an OECD 404 study, 0.5 ml of the test substance was applied under occlusive cover to the skin of five New Zealand White rabbits for four hours (Kastner, 1984). Severe erythema and edema was observed immediately after exposure; after seven days the edema subsided, but erythema persisted and necrosis of the skin developed. Eschar began to form after ten days. The skin appeared light red with isolated scabbing after 21 days. Hair growth was intensified at the edges of the test area, but only isolated bundles of hair grew within the test area. The test substance was considered corrosive.

9,10-Dihydroxy-octadecanoic acid (CAS No 120-87-6): In an OECD 404 study, 0.5 ml of the test substance was applied under semi-occlusive cover to the skin of three SPF albino rabbits for four hours (Hoyer, 1997). One hour after application, all three animals showed well-defined erythema and one animal had edema (only at the one hour time point). The erythema was observed only at the one hour time point for two animals and by 48 hours the erythema was no longer observed on the third animal. The test substance was considered not irritating.



Fatty acids, C16-18 and C18-unsaturated (CAS No 67701-08-0): In an OECD 404 study, 0.5 g of the test substance was applied under occlusive cover to the skin of four Kleinrussen, Chbb:HM rabbits for 72 hours (Kaestner, 1988a). Mild to moderate edema was observed in all four animals at the one hour reading, and was no longer observed at the 7 day reading. Mild to moderate erythema was observed in all four animals and persisted up to 7 days in one animal. Three animals showed scabbing at the 7 day reading. The test substance was considered irritating.

Dicarboxylic acids


Nonanedioic acid (CAS No 123-99-9): In an OECD 404 study, 0.5 g of the test substance was applied to the skin (cover not specified) of six New Zealand White rabbits for 24 hours (Gaworski et


59

al., 1979). No reaction was evident at application sites; the test substance was not considered irritating.


Pentanedioic acid (CAS No 110-94-1): The test substance was applied to the skin of six New Zealand White rabbits under occlusive cover for three minutes, one or four hours (DuPont, 1987). Slight erythema was observed in one rabbit following a three minute, one hour, or four hour exposure, and persisted at 48 hours following a three minute application. No skin irritation was observed in any of the remaining rabbits throughout the study. The test substance was not considered irritating.

Hexanedioic acid (CAS No 124-04-9): The test substance was applied to the skin of six male albino rabbits under occlusive cover for 24 hours (DuPont, 1974). Very slight to mild skin irritation was observed on 3/6 rabbits. According to the Federal Hazardous Substances Act, the material is not considered a primary irritant, but upon repeated contact may be mildly irritating.

Octadecanedioic acid (CAS No 871-70-5): In an OECD 404 study, 0.5 g of the test substance was applied to the skin under semi-occlusive cover of six New Zealand White rabbits for four hours (Kukulinski, 1999). No signs of skin irritation were observed in any animal at any time during the study; the test substance was not considered irritating.



Fatty acids, C8-18 and C18 unsaturated, distillation residue (CAS No 70321-72-1): In an OECD 404 study, 0.5 ml of the test substance was applied under occlusive cover to the skin of four Kleinrussen, Chbb:HM rabbits for four hours (Henkel KGaA, 1988d). Mild erythema was observed in three animals at the one hour reading, and resolved in all animals by eight days after application. There was no edema observed. The test substance was not considered irritating.



No data located.


No data located.



Octadecanoic acid, magnesium salt (CAS No 557-04-0): The test substance (amount not specified) was applied under occlusive cover to the intact and abraded skin of six albino rabbits for 24 hours (Busch, 1982). No signs of skin irritation were observed; the test substance was considered not irritating.


No data located.

Ammonium salts



60

No data located.


9,10-Dihydroxy-octadecanoic acid, ammonium salt (CAS No 84753-04-8): In an OECD 404 study, 0.5 ml of the test substance was applied under semi-occlusive cover to the skin of three Kleinrussen, Chbb:HM rabbits for four hours (Hoyer, 1990). No signs of skin irritation were observed; the test substance was considered not irritating.

Studies in Humans

Single component


Octanoic acid (CAS No 124-07-2): In a 24 hour repeated patch test, the test substance (0.5 M and 1.0 M solutions) was applied under occlusive cover to the skin of twenty volunteers (ten per concentration) (Stillman et al., 1975). If erythema was present on the entire area covered by the patch after the 24 hour exposure, the test was discontinued and the number of days to produce the erythema was recorded. If no erythema was present, the patches were reapplied for another 24 hours, and the process repeated until erythema was observed, or a maximum of ten days was reached. Four subjects showed signs of erythema after two days of exposure to 0.5 M solution; after six days of exposure, eight subjects showed signs of erythema. Four subjects showed signs of erythema after two days of exposure to the 1.0 M solution; all 10 subjects showed signs of erythema by day eight of the study. The test substance was considered moderately irritating.

Nonanoic acid (CAS No 112-05-0): In a 24 hour repeated patch test (described above, Stillman et al., 1975), three subjects showed signs of erythema after two days of exposure to 0.5 M solution; after seven days of exposure, seven subjects showed signs of erythema. Two subjects showed signs of erythema after two days of exposure to the 1.0 M solution; all ten subjects showing signs of erythema by day eight of the study. The test substance was considered moderately irritating.

Decanoic acid (CAS No 334-48-5): In a 24 hour repeated patch test (described above, Stillman et al., 1975), three subjects showed signs of erythema after two days of exposure to 0.5 M solution; after eight days of exposure, seven subjects showed signs of erythema. Four subjects showed signs of erythema after two days of exposure to the 1.0 M solution; all 10 subjects showing signs of erythema by day eight of the study. The test substance was considered moderately irritating.

Dodecanoic acid (CAS No 143-07-7): In a one hour open skin irritation test, a solution of 80% test substance was applied to the skin of ten volunteers every 30 seconds for 30 minutes, and removed 30 minutes after application was complete (Henkel KGaA, 1988f). Seven of the ten test subjects had no reaction to the test substance. Three test subjects showed mild redness at the end of the application process, which faded within 30-35 minutes. The test substance was considered to have good skin compatibility.

Tetradecanoic acid (CAS No 544-63-8): In a 24 hour repeated patch test (described above, Stillman et al., 1975), one subject showed signs of erythema after seven days of exposure to 0.5 M solution; after ten days of exposure, two subjects showed signs of erythema. One subject showed signs of erythema after one day of exposure to the 1.0 M solution; two subjects showed signs of erythema by day eight of the study. The test substance was considered mildly irritating.

Hexadecanoic acid (CAS No 57-10-3): In a closed epicutaneous test (described above; Henkel KGaA, 1988f), no test subjects experienced any reactions to the test substance at any time. The test substance was considered to have good skin compatibility.


61

9,12-Octadecadienoic acid (CAS No 60-33-3): In a 24 hour repeated patch test (described above, Stillman et al., 1975), a 1.0 M solution produced signs of erythema after four days of exposure in one volunteer; after eight days of exposure, seven subjects showed signs of erythema.


Heptanoic acid (CAS No 111-14-8): In a 24 hour repeated patch test (described above, Stillman et al., 1975), no subjects showed signs of erythema after ten days of exposure. The test substance was considered not irritating.

Hexanoic acid (CAS No 142-62-1): In a 24 hour repeated patch test (described above, Stillman et al., 1975), one subject showed signs of erythema after seven days of exposure to 0.5 M solution. At 1.0 M, one subject showed signs of erythema after two days of exposure, and seven subjects showed signs of erythema by day eight. The test substance was considered mildly irritating.



Fatty acids, C16-18 and C18-unsaturated (CAS No 67701-08-0): In a one hour open skin irritation test (Henkel KGaA, 1988g), nine of the ten test subjects had no reaction to the test substance. One test subject showed mild erythema at the end of the application process, which faded within 30 minutes. The test substance was considered to have good skin compatibility.

Dicarboxylic acids


No data located.


No data located.



Fatty acids, C8-18 and C18 unsaturated, distillation residue (CAS No 70321-72-1): In a closed epicutaneous test in humans, the test substance (as a 50% solution), three negative controls (distilled water, 0.9% NaCl solution, and paraffin oil) and a positive control (1% Texapon N 25 solution) were applied to the skin of twenty volunteers for 24 hours using large Scanpor Finn Chambers (Henkel KGaA, 1988f). One test subject experienced mild erythema when exposed to the test substance; no other test subjects showed symptoms of skin irritation. The test substance was considered to have good skin compatibility.



No data located.


No data located.




62

No data located.


No data located.

Ammonium salts


No data located.


No data located.


63

Table 11 Summary of Skin Irritation


64

CAS Name CAS Number

Test guideline Species Result Reference

Single component Sponsored substances Octanoic acid; 124-07-2 OECD 404 Rabbit Severely irritating ECETC, 1995

Federal Hazardous

Substances Act (FSHA) F.R.

Sept. 17, 1964

Rabbit Corrosive IBR-US, 1974e

Not specified Human Moderately irritating Stillman et al., 1975 Decanoic acid; 334-48-5 FSHA F.R. Sept.

17, 1964 Rabbit Highly irritating IBR-US, 1974c

Dodecanoic acid; 143-07-7 OECD 404 Rabbit Moderately irritating Henkel KGaA, 1988l OECD 404 Rabbit Slightly irritating ECETC, 1995

FSHA F.R. Sept. 17, 1964

Rabbit Slightly irritating IBR-US, 1974f

Tetradecanoic acid; 544-63-8 Patch test / Revised (1964)

Federal Hazardous

Substance Act

Rabbit Not irritating IBR-US, 1974a

Hexadecanoic acid; 57-10-3 OECD 404 Rabbit Not irritating Henkel KGaA, 1988l § 191.11 of the

Regulations under the FSHA

Rabbit Not irritating IBR-US, 1974g

Octadecanoic acid; 57-11-4 FSHA F.R. Sept. 17, 1964

Rabbit Not irritating IBR-US, 1974d

Isooctadecanoic acid; 30399-84-9 OECD 404 Rabbit Moderately irritating ECETC, 1995 9-Octadecenoic acid, (Z)-; 112-80-1 FSHA F.R. Sept.

17, 1964 Rabbit Mildly irritating IBR-US, 1974a

Method for Primary Irritation

FSHA

Rabbit Mildly irritating Bio-Toxicology Laboratories, 1973

13-Docosenoic acid, (Z)-; 112-86-7 OECD 404 Rabbit Slightly irritating Pitterman, 1992 Supporting substances Heptanoic acid; 111-14-8 24 hour repeated

patch test Human Not irritating Stillman et al., 1975

Hexanoic acid; 142-62-1 OECD 404 Rabbit Corrosive Kastner, 1984 24 hour repeated

patch test Human Mildly irritating Stillman et al., 1975

9,10-Dihydroxy-octadecanoic acid; 120-87-6

OECD 404 Rabbit Not irritating Hoyer, 1997

Alkyl ranges and source based Sponsored substances Fatty acids, C16-18 and C18-unsaturated; 67701-08-0

OECD 404 Rabbit Irritating Käestner, 1988a

Supporting substances(no data located) Dicarboxylic acids

Sponsored substances Nonanedioic acid; 123-99-9 OECD 404 Rabbit Not irritating Gaworski et al., 1979 Supporting substances Pentanedioic acid; 110-94-1 Not specified Rabbit Not irritating DuPont, 1987 Hexanedioic acid; 124-04-9 Not specified Rabbit Not irritating DuPont, 1974 Octadecanedioic acid; 871-70-5 OECD 404 Rabbit Not irritating Kukulinski, 1999

Fatty acids distillation residues1


OECD 404 Rabbit Not irritating Henkel KGaA, 1988d OECD 404 Rabbit Not irritating Henkel KGaA, 1988e

Not specified Human Good skin compatibility

Henkel KGaA, 1988f


Sponsored substances (no data located) Supporting substances (no data located)




65


OECD 404 Rabbit Not irritating Busch, 1982

Supporting substances (no data located) Ammonium salts2

Sponsored substances (no data located) Supporting substances 9,10-Dihydroxy-octadecanoic acid, ammonium salt; 84753-04-8

Not specified Rabbit Not iritating Hoyer, 1990

(1) Fatty acid distillation residues contain the same chain ranges (tallow, C8-18, C18-unsat) as CAS No. 67701-05-7, Fatty acids, C8-18 and C18-unsaturated (alkyl range and source based), but purity is lower. The supporting substances for Alkyl range and sourced based, and Fatty acid ditillation residues are the same.


Eye Irritation

Studies in Animals

Single component


Octanoic acid (CAS No 124-07-2): In a study conducted according to EPA OTS 798.4500 (Acute Eye Irritation) Regulations for the Enforcement of the Federal Hazardous Substances Act. F.R. Sept. 17, 1964, 0.1 ml of the test substance was instilled into the eye of six albino rabbits for 72 hours (IBR-US, 1974e). The test material produced conjunctival redness, chemosis, discharge, and corneal opacity in all six animals. Iris effects were observed in three animals. Irritation was not appreciable reduced by the end of the observation period at 72 hours. The test substance was considered irritating.

Decanoic acid (CAS No 334-48-5): In a study conducted according to EPA OTS 798.4500 (Acute Eye Irritation) Regulations for the Enforcement of the Federal Hazardous Substances Act. F.R. Sept. 17, 1964, 100 mg of the test substance was instilled into the eye of six albino rabbits for 72 hours (IBR-US, 1974c). All six animals showed corneal opacity and conjunctival redness, discharge, and chemosis at 24 hours. Four animals also showed mild symptoms of the iris. There was no decrease in symptoms at the 72 hour reading. The test substance was considered irritating.

Dodecanoic acid (CAS No 143-07-7): In an OECD 405 study, 100 mg of the test substance was instilled into the right eye of one rabbit (strain not specified) for 72 hours (Henkel KGaA, 1988m). The test material produced mild to moderate corneal opacity that persisted throughout the study and was still present at the end of the observation period at 21 days. Iris effects were present at the 48 hours reading only. Mild conjunctival redness and chemosis and severe discharge was observed at the one hour reading. These conjunctival symptoms were no longer present by the 72 hour reading (conjunctival redness and discharge) or the seven day reading (chemosis).

Tetradecanoic acid (CAS No 544-63-8): In a Draize/ Revised (1964) Federal Hazardous Substance Act study, 100 ml of the test substance was instilled into the eye of six New Zealand White rabbits (IBR-US, 1974a). Conjunctival erythema scores of 1 in three animals were observed; the test substance was considered not irritating.

Hexadecanoic acid (CAS No 57-10-3): In an OECD 405 study, 100 mg of the test substance was instilled into the right eye of four Chbb:HM/Fa rabbits for 72 hours (Henkel KGaA, 1998m). Mild conjunctival redness was observed in all four animals at the one hour reading and resolved by the 48 hour reading. Mild discharge was seen in one animal at the one hour reading and two animals at the 6 hour reading. Discharge was no longer observed at the 24 hour reading. Mild chemosis was observed in three animals at the one hour reading only. The test substance was considered not irritating.


66

Octadecanoic acid (CAS No 57-11-4): In a study conducted according to Regulations for the Enforcement of the Federal Hazardous Substances Act. F.R. Sept. 17, 1964, 100 mg of the test substance was instilled into the eye of six albino rabbits for 72 hours (IBR-US, 1974c). No signs of eye irritation were observed; the test substance was not considered irritating.

9-Octadecenoic acid, (Z)- (CAS No 112-80-1): In a study conducted according to Regulations for the Enforcement of the Federal Hazardous Substances Act. F.R. Sept. 17, 1964, 0.1 ml of the test substance was instilled into the eye of six albino rabbits for 72 hours (IBR-US, 1974a). The test material produced mild conjunctival redness and chemosis in one animal at the 24 hour, which persisted at 72 hours. Discharge was also observed in this animal at the 48 and 72 hour readings. Minor conjunctival redness was observed in four other animals at the 24 hour reading. No signs of irritation were observed in one animal. The test substance was not considered irritating.

13-Docosenoic acid, (Z)- (CAS No 112-86-7): In an OECD 405 study, 0.1 ml of the test substance was instilled into the right eye of three Kleinrussen Chbb:HM rabbits for 72 hours (Pitterman, 1992). Minor conjunctival redness in one animal was observed at the one hour period only and disappeared completely within 24 hours. No corneal opacity, iris effects, chemosis, or discharge was observed. No irritation effects were observed in the other two animals. The test substance was not considered irritating.


9,10-Dihydroxy-octadecanoic acid (CAS No 120-87-6): In an OECD 405 study, 100 mg of the test substance was instilled into the right eye of three New Zealand albino rabbits for 72 hours (Hoyer, 1997). One hour after application, one animal showed slight corneal opacity which was present at 24 hours. All three animals displayed conjunctiva redness, discharge and chemosis at 1, 24, 48, and 72 hours. Chemosis and discharge showed a marked lessening in all animals by 48 hours. After 7 days, none of the animals showed eye reactions. The test substance was considered not irritating.



Fatty acids, C16-18 and C18-unsaturated (CAS No 67701-08-0): In an OECD 405 study, 100 mg of the test substance was instilled into the right eye of four Chbb:HM/Fa rabbits for 72 hours (Kaestner, 1988b). Minor conjunctival redness was observed in all four animals at the one hour period and disappeared completely by the 24 hour reading. Mild to moderate discharge was also observed in two animals at the one hour reading only. Three animals showed mild chemosis at the one hour reading only. The test substance was considered not irritating.

Dicarboxylic acids


No data located


Butanedioic acid (CAS No 110-15-6): 0.005 mL of the undiluted test substance was applied to the eye of albino rabbits (Carpenter and Smyth, 1946). Additional details were not located. Necrosis was observed after 24 hours and the test substance was considered a severe irritant.

Pentanedioic acid (CAS No 110-94-1): 100 mg of the test substance was administered to the eye of three rabbits (strain not specified) for 24 hours (Solutia, 1968), and then rinsed. Discharge, moderate erythema and edema, mild eversion of lids, and iritial dullness were observed during the 1st hour.


67

Mild erythema, slight edema, and slight dullness remained at the final reading after 7 days. The test substance was considered irritating.

Hexanedioic acid (CAS No 124-04-9): 10 or 57.1 mg of the test substance was administered to the eye of four albino rabbits (DuPont, 1974). Twenty seconds after contact, one treated eye at each dose was washed with tap water for 1 minute; the other rabbit eye was not washed. Ten mg produced no corneal and a minimal iritic effect with a mild conjunctival irritation. At 7 days, there was a minimal conjunctival irritation, and the eye was normal within 14 days. An eye dosed with 10 mg and washed had mild conjunctival irritation with no corneal or iritic effect, and was normal within 3 days. 57.1 mg produced mild opacity of the cornea with minimal iritic effect and moderate to mild conjunctival irritation. The eye was normal at 7 days. An eye dosed with 57.1 mg and washed produced a transient, mild opacity with no iritic effect, and a moderate to mild conjunctival irritation. The eye was normal within 3 days. The substance was considered irritating to the eye.

Octadecanedioic acid (CAS No 871-70-5): In an OECD 405 study, 100 mg of the test substance was instilled into the eye of six New Zealand White rabbits (Kukulinski and Locke, 1999). One hour after application, all six animals animal were positive for conjunctival symptoms and two animals showed iris effects. Maximum irritation effects were seen at 24 hours when corneal opacity was also observed in five animals. After seven days, only one animal showed irritation effects. The test substance was considered irritating to the eye.



Fatty acids, C8-18 and C18 unsaturated, distillation residue (CAS No 70321-72-1): In an OECD 405 study, 100 mg of the test substance was instilled into the right eye of four Kleinrussen, Chbb:HM/Fa rabbits (Henkel KGaA, 1988h). Minor conjunctival redness was observed in three animals at the one hour period and resolved by the 48 hour reading. Mild to moderate discharge was also observed in two animals at the one hour reading only. The test substance was considered not irritating to the eye.



No data located.


No data located.



Octadecanoic acid, magnesium salt (CAS No 557-04-0): The undiluted test substance (amount not specified) was applied to the eye of six albino rabbits for 72 hours (Busch, 1982). No signs of irritation were observed. The test substance was not considered irritating.

Ammonium salts


No data located



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9,10-Dihydroxy-octadecanoic acid, ammonium salt (CAS No 84753-04-8): In an OECD 405 study, 100 mg of the test substance was instilled into the right eye of three Kleinrussen, Chbb:HM/Fa rabbits (Steiling, 1990). All three animals displayed mild to strong symptoms of conjunctival redness, chemosis, and discharge for up to 7 days. After 14 days, all symptoms had cleared in one animal. The other two animals showed bloody infiltrations up to 21 days after exposure and one of them exhibited persistent effects on cornea, iris and conjunctiva. Mild symptoms of the cornea (corneal opacity) were also seen in all three animals. The test substance was considered corrosive to the eye.


69

Table 12 Summary of Eye Irritation


70

CAS Name CAS Number

Test guideline

Species Result Reference

Single component Sponsored substances Octanoic acid; 124-07-2 EPA OTS

798.4500 Rabbit Irritating IBR-US, 1974e

Decanoic acid; 334-48-5 EPA OTS 798.4500

Rabbit Irritating IBR-US, 1974c

Dodecanoic acid; 143-07-7 OECD 405 Rabbit Irritating Henkel KGaA, 1988m FSHA F.R. Sept. 17,

1964.

Rabbit Irritating IBR-US, 1974b

Tetradecanoic acid; 544-63-8 Revised (1964) Federal

Hazardous Substance

Act

Rabbit Not irritating IBR-US, 1974b

Hexadecanoic acid; 57-10-3 OECD 405 Rabbit Not irritating Henkel KGaA, 1998l FSAH F.R. Sept. 17,

1964

Rabbit Not irritating IBR-US, 1974c

Octadecanoic acid; 57-11-4 FSHA F.R. Sept. 17,

1964

Rabbit Not irritating IBR-US, 1974d

9-Octadecenoic acid, (Z)-; 112-80-1 FSHA F.R. Sept. 17,

1964

Rabbit Not irritating IBR-US, 1974a

13-Docosenoic acid, (Z)-; 112-86-7 OECD 405 Rabbit Not irritating Pitterman, 1992 Supporting substances 9,10-Dihydroxy-octadecanoic acid; 120-87-6

OECD 405 Rabbit Not irritating Hoyer, 1997

Alkyl ranges and source based Sponsored substances Fatty acids, C16-18 and C18-unsaturated; 67701-08-0

OECD 405 Rabbit Not irritating Kaestner, 1988b

Supporting substances (no data located) Dicarboxylic acids

Sponsored substances (no data located) Supporting substances Butanedioic acid; 110-15-6 Not

specified Rabbit Severe irritant Carpenter and Smyth,

1946 Pentanedioic acid; 110-94-1 Not

specified Rabbit Irritating Solutia, 1968

Hexanedioic acid; 124-04-9 Not specified

Rabbit Irritating DuPont, 1974

Octadecanedioic acid; 871-70-5 OECD 405 Rabbit Irritating Kukulinski and Locke, 1999

Fatty acid distillation residue1


OECD 405 Rabbit Not irritating Henkel KGaA, 1988h OECD 405 Rabbit Not irritating Henkel KGaA, 1988i


Sponsored substances(no data located) Supporting substances (no data located)



Not specifed

Rabbit Not irritating Busch, 1982


Sponsored substances (no data located) Supporting substances 9,10-Dihydroxy-octadecanoic acid, ammonium salt; 84753-04-8

OECD 405 Rabbit Corrosive Steiling, 1990


71



Conclusion

Skin and eye irritation potential is chain length dependent and decreases with increasing chain length. The animal skin irritation studies (generally similar to OECD 404) indicate that the C6-10 aliphatic acids are severely irritating or corrosive, while the C12 aliphatic acid has lower irritation potential, and the C14-22 aliphatic acids generally are not irritating or are slightly or mildly irritating. Studies in human volunteers, using up to ten sequential 24-hour occluded exposure periods, demonstrate that the C8-12 aliphatic acids are the most irritating, with the C14-18 aliphatic acids having lower irritation potential. Human skin irritation studies using more realistic exposures (30-minute, 1-hour or 24- hours) indicate that the aliphatic acids have sufficient, good or very good skin compatibility. Animal eye irritation studies (generally similar to OECD 405) indicate that among the sponsored aliphatic acids, the C8-12 aliphatic acids are irritating to the eye while the C14-22 aliphatic acids are not irritating. Conflicting skin and eye irritation data were located for one magnesium salt (not irritating to skin or eye) and one ammonium salt (not irritating to skin; corrosive to eye); these salts are not expected to be irritating to the skin and eyes.

3.1.4 Sensitisation

No data located.

3.1.5 Repeated Dose Toxicity

Repeated dose toxicity data are available for sponsored and supporting aliphatic acids for the oral route of exposure. Table 12 contains a summary of the repeated dose toxicity studies.

Studies in Animals

Oral

Single component


9-Octadecenoic acid, (Z)- (CAS No 112-80-1): In a 90 day study (no guideline specified), groups of ten Charles River rats/sex/group were administered the test substance in the diet at 5, 10 and 25% (ca. 0, 3300, 6100, 14,000 mg/kg bw/day; Hercules, 1969). Three animals (two controls and one mid-dose) died from the blood collection procedure. There were no clinical signs, adverse effects on body weight, urinalysis, clinical chemistry, or hematology. Food consumption among test animals was slightly lower than among the control animals. There were no significant differences in organ/body weight ratios except for kidneys, adrenal glands and brain; female animals showed a higher organ/body weight ratio than controls. In the absence of microscopic abnormalities in these organs, this effect was not considered adverse. The NOAEL was = 25% (14,000 mg/kg bw/day).

9,12-Octadecadienoic acid (CAS No 60-33-3): A group of twenty male Fischer 344 rats were administered the test substance in the diet at a dose of 1.5 % (ca. 467 - 1970 mg/kg bw/day) for 36 weeks (Scimeca, 1998). There were no adverse findings; the NOAEL was = 467 - 1970 mg/kg bw/day.



72

Docosanoic acid, CAS No 112-85-6: In an OECD 422 study, groups of male and female Crj: CD(SD) rats (13/sex/group), were administered the test substance by oral gavage at doses of 0, 100, 300, 1000 mg/kg/day (JETOC, 2000). For males the exposure period was 42 days; for females the exposure period was from 14 days prior to mating to day 3 of lactation (minimum of 39 days of exposure). There were no deaths or changes in general condition, no changes in body weight gain or food consumption, and no adverse histopathological, hematological or biochemical effects. The NOAEL was 1000 mg/kg bw, the highest dose tested.



No data located.


Fatty acids, tall-oil, CAS No 61790-12-3: In a study similar to OECD 407, “Repeat Dose 28-Day Oral Toxicity Study in Rodents”, groups of male and female Charles River rats (10/sex/dose) were administered the test substance in the diet at doses of 5, 10, and 25% (approximately equivalent to 2500, 5000, and 12,500 mg/kg/day) for 90 days (Industrial Bio-Test Laboratories, Inc., 1969; WHO, 1990). Two control rats died during blood sampling. No other deaths occurred and no clinical signs were observed. Body weight and body weight gain were not affected by treatment, but food consumption was slightly decreased at 10 and 25%. No changes in hematology, clinical chemistry or urinalysis parameters occurred at any dose. At gross pathology, no treatment-related effects were noted at any dose. No consistent organ weight changes and no histopathological effects were reported at any dose. Based on these the NOEL was 5% (approximately 2,500 mg/kg/day).

Dicarboxylic acids


No data located.


Butanedioic acid, CAS No 110-15-6: Groups of ten Fischer 344 rats/sex were administered the test substance in drinking water at doses of 0, 0.3, 0.6, 1.25, 2.5, 5, 10% (0, 240, 480, 1000, 2000, 4000, 8000 mg/kg bw/day1) for 13 weeks (Maekawa et al., 1990). A guideline was not specified. Severe suppression of body weight gain occurred in rats in the 10% group, and all of the rats died during the first four weeks of exposure. There were no other deaths. Suppression of body weight gain was observed at 2.5 and 5%. Drinking water consumption was reduced in all exposure groups. No dose-related changes were observed in the hematology and biochemistry. There were no histopathological findings in surviving rats. On the basis of body weight depression, the maximum tolerated dose of monosodium succinate was determined to be approximately 2-2.5% (1700-2100 mg/kg bw/day) when given in the drinking water.

1 The drinking water intake levels are estimated based on study water intake (in mL/rat/day) as estimated from Maekawa et al., 1990, Figure 2, and study body weight (in mg/rat) estimated from Maekawa et al., 1990, Figure 1. The resulting estimates of water intake are 0.068 L water/kg bw/day for the 0.3 to 5% concentration groups, and 0.095 L water/kg bw/day for the 10% groups.


73

Pentanedioic acid, CAS No 110-94-1: In a study similar to OECD 408, groups of Sprague-Dawley rats (15/sex/dose) were fed 0, 0.5, 1.0 or 2.0% (0, 400, 800 and 1200 mg/kg bw/day2) of the test substance in the diet for 90 days (Solutia Inc., 1968). There were no deaths. No effects were observed on food consumption, hematology, clinical chemistry, urinalysis, organ weights or histopathology. Based on reduced body weight gains, the NOAEL is 800 mg/kg bw.

Hexanedioic acid, CAS No 124-04-9: Male Carworth Farms rats (20/dose) were fed 0, 0.1, 1.0, 3.0, 5.0% in diet (0, 47, 1500, 2700 mg/kg bw/day) in the diet; the females were fed either 0% (10 animals) or 1.0% (19 animals; 63 mg/kg bw) for 2 years (Horn et al., 19573; Hazelton, 1952). Body weight gains for the males were reduced in the 3 and 5% dose groups and food consumption was lower in the 5% dose group; these effects were not considered adverse. There were no effects on mortality, clinical signs, gross pathology, organ weights or histopathology. There were no effects on mortality, clinical signs, weight gains, food consumption, organ weights, gross pathology or histopathology for the female rats. The NOAEL is 2700 mg/kg bw/day (males) and 63 mg/kg bw (females), the highest doses tested.

Octadecanedioic acid, CAS No 871-70-5: In an OECD 407, groups of male and female Sprague-Dawley rats (5/sex/dose) were exposed via oral gavage to 0 or 1000 mg/kg bw/day of the test substance daily for 28 days (BSL, 2002b). No effects were observed on mortality, clinical signs, body weights, food consumption, or organ weights. No toxicologically relevant effects were observed on haematology or clinical chemistry. The NOAEL is = 1000 mg/kg bw/day.

Dodecanedioic acid, CAS No 693-23-2: In an OECD Guideline 422 study groups of male and female Crl: CD BR rats were exposed to the substance at doses of 0, 100, 500 or 1000 mg/kg bw by oral gavage (http://www.inchem.org/documents/sids/sids/693232.pdf). The NOAEL for systemic toxicity was 1000 mg/kg bw (the highest dose tested; limit dose) for both male and female animals.



Fatty acids, C8-18 and C18 unsaturated, distillation residues (CAS No 70321-72-1): In an OECD Guideline 407 (Repeated Dose 28-Day Oral Toxicity in Rodents) study, groups of ten Wistar rats/sex/group were administered the test substance (in olive oil) by oral gavage for 5 days per week, for four weeks at doses of 0, 50, 250 and 1000 mg/kg day (Henkel, 1983a). There were no findings other than irritation of the forestomach. These effects were attributed to the olive oil vehicle, as the high dose animals had less irritation than the controls and irritation in the mid- and low-dose animals was comparable to the controls. The NOAEL was 1000 mg/kg bw, the highest dose tested.



No data located.


2 In the absence of study-specific food consumption data, dose estimates (in mg/kg bw/day) are based on a default food consumption rate for subchronic rat studies of 0.08 g food/g bw/day, as discussed and agreed at CoCAM 2, Paris, France, April 2012, for the Tertiary Amines Category.

3 Dose estimates (in mg/kg bw/day) based on study food consumption and body weight data for the entire study duration. For each % diet and gender grouping, food consumption (in g food/g bw/day) was calculated as average g food/rat/day divided by average g bw/rat.

http://www.inchem.org/documents/sids/sids/693232.pdf


74

No data located.



Octadecanoic acid, magnesium salt (CAS No 557-04-0): In a study conducted similar to OECD Guideline 408 (Repeated Dose 90-Day Oral Toxicity in Rodents), groups of twenty Wistar rats/sex/group were administered the test substance in the diet at 0, 5, 10, 20% for 90 days (4000, 8000, 16,000 mg/kg bw/day; Sondergarrd et al., 1980). Four males in the 20% group died in the first 8 weeks. Necropsy revealed the presence stone formation in the lower urinary pathways which likely accounted for these deaths. In the 20% group, weight gain (males) was significantly decreased in the first 8 weeks of dosing; there was also a 33% reduction in food consumption (males and females). The amount of utilizable energy in the diet decreased as the amount of test substance increased due to the relative poor absorption of the material (15-20% absorption at the 20% dosage level). This might explain the depletion of glycogen and decreased liver weight. There was a reduction in packed cell volume in the 20% group after 12 weeks and males from the 20% group exhibited a decrease in liver glycogen. The kidney to bodyweight ratio was significantly reduced in all dosage groups for the female animals, and in the 10% group for the male animals. The liver to body weight ratio was significantly reduced in all dosage groups for the male animals, and in the 20% group for the females. The reduction in the liver to body weight ratios are likely due to the reduced food intake of the animals (33% reduction in the 20% group). The high magnesium content of the diet containing 20% magnesium stearate is likely to be the cause of the stone formation and changes in the urinary tract. Animals from the 20% group exhibited a deposition of iron in the kidney and liver (both sexes). The NOAEL is 5% in the diet, corresponding to 4000 mg/kg bw/day.


No data located.

Ammonium salts


No data located.


No data located.


75

Table 13 Summary of Repeated Dose Studies


76

CAS Name CAS Number

Test Guideline Species, Sex, Duration, Dose

(mg/kg bw)

NOAEL (mg/kg bw)

Reference

Single component Sponsored substances 9-Octadecenoic acid, (Z)-; 112-80-1 Not specified Rat,M/F, 90 d,

ca. 0, 3300, 6100, 14,000

14,000 Hercules, 1969

9,12-Octadecadienoic acid; 60-33-3 Not specified Rat, M, 36 wk, 467 - 1970

467 - 1970 Scimeca, 1998

Supporting substances Docosanoic acid; 112-85-6 OECD 422 Rat, M/F, 42 d

(M), 39 d (F), 0, 100, 300,

1000

1000 JETOC, 2000

Alkyl ranges and source based Sponsored substances (no data located) Supporting substances Fatty acids, tall-oil; 61790-12-3 Similar to

OECD 407 Rat, M/F, 90 d, 2500, 5000, and

12,500

2500 Industrial Bio-Test Laboratories, Inc., 1969; WHO, 1990

Dicarboxylic acids Sponsored substances (no data located) Supporting substances Butanedioic acid; 110-15-6 Not specifed Rat, M/F, 13

wks, 0, 240, 480, 1000, 2000, 4000,

8000

1700-2100 Maekawa et al., 1990

Pentanedioic acid; 110-94-1 Similar to OECD 408

Rat, M/F, 90 d, 0, 400, 800 and

1200

800 Solutia Inc., 1968

Hexanedioic acid; 124-04-9 Not specified Rat, M/F, 2 yrs, M: 0, 47, 1500, 2700; F: 0, 63

2700 (M); 63 (F) Horn et al., 1957 ; Hazelton, 1952

Octadecanedioic acid; 871-70-5 OECD 407 Rat, M/F, 28 d, 1000

1000 BSL, 2002b

Range finder Rat, M/F, 14 d, 0, 100, 300 or

1000

1000 Research Technology Centre, 2001

Dodecanedioic acid; 693-23-2 Range finder Rat, M/F, 14 d, doses not specified

5000 OECD /SIDS, 1994

OECD 422 Rat, M/F, 15 d until mating, throughout

gestation,lactation; 100, 500,

1000

1000 OECD /SIDS, 1994

Fatty acid distillation residues1


OECD 407 Rat, M/F, 28 d, 0, 50, 250, 1000

1000 Henkel, 1983a





Similar to OECD 408

Rat, M/F, 90 d, 4000, 8000,

16,000

4000 Sondergarrd et al., 1980




77



Conclusion

Repeated dose oral (gavage or diet) exposure to the sponsored or supporting aliphatic acids did not result in systemic toxicity with NOAELs greater than the limit dose of 1000 mg/kg bw (similar to OCED 407, 408 or 422). Similar results are expected for all of the category members.

3.1.6 Mutagenicity

Gene mutation data (in vitro bacterial and in vitro mammalian studies) are available for single and multi-component sponsored substances and supporting substances. Chromosome aberration studies (in vitro and in vivo) were not located for sponsored substances and are provided for supporting substances. Additional mutagenicity studies for supporting substances (for example, in vitro and in vivo mammalian gene mutation tests) are not described in detail in this document, but are provided in the dossiers; these studies were consistently negative. Table 14 provides a summary of the mutagenicity data.

Studies in Animals

In vitro Studies

Gene mutation

Single component


Octanoic acid (CAS No 124-07-2): In a study conducted similar to OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 98, TA 100, TA 1535, and TA 1537 were exposed to the test substance at concentrations up to 1250 ug/plate in the presence and absence of metabolic activation (Aroclor 1254 induced rat liver S-9 mix; Henkel, 1981i). There was no information regarding positive, negative and solvent controls. The test substance was not mutagenic.

Isooctadecanoic acid (CAS No 30399-84-9): In an OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 98, TA 100, TA 1535, and TA 1537 were exposed to the test substance at concentrations up to 5000 ug/plate in the presence and absence of metabolic activation (Aroclor 1254 induced rat liver S-9 mix; NOTOX, 1996). Positive, negative and solvent controls were included and valid. The test substance was not mutagenic.

12-hydroxy-octadecanoic acid (CAS No 106-14-9): (1) In an Ames test (no guideline specified), Salmonella typhimurium TA 98, TA 100, TA 1535, TA 1537 and TA 1538 were exposed to the test substance at concentrations up to 2500 ug/plate in the presence and absence of metabolic activation (Aroclor 1254 induced rat liver S-9 mix; Scheutwinkel-Reich et al., 1980). Positive and negative controls were included but results of the controls were not located. The test substance was not mutagenic.

(2) In a mouse lymphoma assay (Clive and Spector (1975) Mutat. Res. 31: 17-29), mouse lymphoma L5178Y cells were exposed to the test substance at concentrations up to 250 ug/plate in the absence of metabolic activation and up to 100 ug/plate in the presence of metabolic activation (Aroclor-


78

induced rat liver S-9; Microbiological Associates, 1993b). Positive and solvent controls were included and valid. The test substance was not mutagenic.

9-Octadecenoic acid, (Z)- (CAS No 112-80-1): In a Bacterial Reverse Mutation Assay (no guideline specified), Salmonella typhimurium TA 98, TA 100, TA 1535, and TA 1537 were exposed to the test substance at concentrations up to 10,000 ug/plate in the presence and absence of metabolic activation (Aroclor 1254 induced rat or hamster liver S-9 mix; Mortelmans et al., 1986). Positive, negative and solvent controls were included but results of the controls were not located. The test substance was not mutagenic.

9,12-Octadecadienoic acid (CAS No 60-33-3): In a study similar to OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 98, TA 100, TA 1535, TA 1537 and/or TA 97 were exposed to the test substance (concentrations not specified) in the presence and absence of metabolic activation (Aroclor 1254 induced rat liver S-9 mix; Zeiger et al. , 1987). Positive and solvent controls were included and valid. The test substance was not mutagenic.


Heptanoic acid (CAS No 111-14-8): In an OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 97, TA 98, TA 100, TA 1535, and TA 1537 were exposed to the test substance at concentrations up to 6666 ug/plate (up to 1666 ug/plate for TA 97) in the presence and absence of metabolic activation (male Sprague-Dawley rats and Syrian Hamsters induced with 10% or 30% Aroclor; Zeiger et al;, 1992). Positive and solvent controls were included. Solvent controls were valid; validity data were not located for positive controls. The test substance was not mutagenic.

Hexanoic acid (CAS No 142-62-1): In an OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 98, TA 100, TA 1535, and TA 1537 were exposed to the test substance at concentrations up to 800 ug/plate (cytotoxic >= 800 ug/plate) in the presence and absence of metabolic activation (Aroclor 1254 induced rat liver S-9 mix; Henkel KGaA, 1991a). Positive, negative and solvent controls were included and valid. The test substance was not mutagenic.

Docosanoic acid (CAS No 112-85-6): In an OECD Guideline 471 (Bacterial Reverse Mutation Assay), S. typhimurium TA 100, TA 1535, TA 98, TA 1537 and E. coli WP2 uvrA were exposed to the test substance at concentrations up to 5000 ug/plate in the presence and absence of metabolic activation (liver, induced with phenobarbital and 5,6-benzoflavone; JETOC, 2000). Negative and solvent controls were included and valid; there was no data located regarding positive controls. The test substance was not mutagenic.



No data located.


Fatty acids, tall-oil (CAS No 61790-12-3): In a study similar to OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 98, TA 100, TA 1535, TA 1537 and/or TA 97 were exposed to the test substance at concentrations up to 10,000 ug/plate in the presence and absence of metabolic activation (Aroclor 1254 induced rat liver S-9 mix; Pharmakon Research International, Inc. 1983b). Positive controls were included but results of the controls were not located. The test substance was not mutagenic.

Dicarboxylic acids


79


Decanedioic acid (CAS No 111-20-6): In an OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 98, TA 100, TA 1535, TA 1537, TA 1538 were exposed to the test substance at concentrations up to 5000 ug/plate in the presence and absence of metabolic activation (Aroclor 1254 induced rat liver S-9 mix; Thompson, 1992). Positive, negative and solvent controls were included but results of the controls were not located. The test substance was not mutagenic.


Butanedioic acid (CAS No 110-15-6): In an Ames test, Salmonella typhimurium TA 92, TA 1535, TA 100, TA 1537, TA 94, and TA 98 and were exposed to the test substance at concentrations up to 5000 ug/plate in the presence and absence of metabolic activation (biphenyl KC-400-treated rat liver S-9; Ishidate et al., 1984). The test substance was not mutagenic.

Pentanedioic acid (CAS No 110-94-1): (1) In an Ames test, Salmonella typhimurium TA 98, TA 100, TA 1535, TA 1537, and TA 1538 were exposed to the test substance at concentrations up to 5000 ug/plate in the presence and absence of metabolic activation (Sterling-Winthrop Research Institute, 1978). Positive and negative controls were included but results of the controls were not located. The test substance was not mutagenic.

(2) In a mouse lymphoma assay (Clive and Spector (1975) Mutat. Res. 31: 17-29), mouse lymphoma L5178Y cells were exposed to the test substance at concentrations of 156 - 8295 ug/ml in the presence of metabolic activation (Aroclor-induced rat liver S-9; Sterling Winthrop, 1981). Concurrent negative and positive controls were run. Positive and solvent controls were included and but results not located. The test substance was not mutagenic.

(3) In an in vitro transformation assay, BALB/3T3 cells were exposed to the test substance in the at concentrations up 12.5 mg/mL in the presence of metabolic activation (rat liver microsomes) and up to 26.3 mg/mL in the absence of metabolic activation (Sterling Winthrop, 1983b). Concurrent negative and positive controls were run. The substance induced a significant, dose-related number of transformed foci under non-activation (3.3-12.5 mg/mL) and activation (16.8 and 21 mg/mL) conditions. Therefore, the substance was considered to be active in the Balb/c-3T3 in vitro transformation assay in the absence and presence of an exogenous metabolic activation system.

Octadecanedioic acid (CAS No 871-70-5): In an OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 98, TA 100, TA 102, TA 1535, and TA 1537 were exposed to the test substance at concentrations up to 5000 ug/plate in the presence and absence of metabolic activation (RCC Cytotest, 2001). Positive, negative and solvent controls were included and valid. The test substance was not mutagenic.

Dodecanedioic acid (CAS No 693-23-2): In an Ames test (no guideline specified), Salmonella typhimurium TA 98, TA 100, TA 1535, and TA 1537 were exposed to the test substance at concentrations up to 5000 ug/plate in the presence and absence of metabolic activation (OECD/SIDS, 1994). There was no data located regarding controls. The test substance was not mutagenic.

Hexanedioic acid (CAS No 124-04-9): In an in vitro Bacterial Reverse Mutation Assay (Ames et al. (1975). Mutat. Res., 31:347-364), Salmonella typhimurium TA 98, TA 100, TA 1535, TA 1537, TA 1538 and Escherichia coli strain WP2 were exposed to the test substance at concentrations up to 10,000 ug/plate in the presence and absence of metabolic activation (Aroclor®-induced rat liver S-9; Prival et al., 1991). Positive controls were included and valid. The test substance was not mutagenic.


80

Octadecanedioic acid (CAS No 871-70-5): In an OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 98, TA 100, TA 102, TA 1535, and TA 1537 were exposed to the test substance at concentrations up to 5000 ug/plate in the presence and absence of metabolic activation (RCC Cytotest, 2001). Positive, negative and solvent controls were included and valid. The test substance was not mutagenic.



Fatty acids, C8-18 and C18 unsaturated, distillation residues (CAS No 70321-72-1): In an OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 98, TA 100, TA 1535, TA 1537, TA 1538 were exposed to the test substance at concentrations up to 5000 ug/plate in the presence and absence of metabolic activation (Henkel, 1988c). Positive, negative and solvent controls were included but results of the controls were not located. The test substance was not mutagenic.





Octadecanoic acid, magnesium salt (CAS No 557-04-0): In a Bacterial Reverse Mutation Assay (no guideline specified), Salmonella typhimurium TA 1535, TA 1537 and TA 1538 and Saccharomyces cerevisae D4 were exposed to the test substance (concentrations not specified) in the presence and absence of metabolic activation (rat, mouse and monkey liver and lung; Busch, 1982). Further details were not located. The test substance was not mutagenic.

Ammonium salts


No data located.


9,10-Dihydroxy-octadecanoic acid, ammonium salt (CAS No 84753-04-8): In an OECD Guideline 471 (Bacterial Reverse Mutation Assay), Salmonella typhimurium TA 98, TA 100, TA 1535, TA 1537 and TA 1538 were exposed to the test substance at concentrations up to 5000 ug/plate in the presence and absence of metabolic activation (Aroclor 1254 induced rat liver S-9 mix; Henkel KGaA, 1991b). Positive controls were included but results of the controls were not located. The test substance was not mutagenic.

Chromosome aberration

Single component


12-hydroxy-octadecanoic acid (CAS No 106-14-9): In a study similar to OECD 473 (in vitro mammalian chromosome aberration test), Chinese Hamster Ovary (CHO) cells were exposed to the test substance at concentrations up to 213 ug/ml in the presence and absence of metabolic activation (rat liver S-9 induced with Aroclor 1254) (Microbiological Associates, 1994). Solvent and positive


81

controls fulfilled the requirements for a valid study. The test substance did not induce chromosomal aberrations in this study.


Docosanoic acid (CAS No 112-85-6): In an OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test) study, Chinese hamster lung fibroblasts (V79) were exposed to the test substance in the presence and absence of metabolic activation (Rat liver, induced with phenobarbital and 5,6-benzoflavone; JETOC, 2000), The concentrations for the 24 hour exposure were 0, 350, 700, 1400, 2800 µg/ml; for the 48 hour exposure the concentrations were 0, 288, 575, 1150, 2300 µg/ml. For the short term exposure the concentrations were 0, 875, 1750, 3500 µg/ml and for the long term exposure the concentrations were 0, 875, 1750, 3500 µg/ml. Positive and negative controls were included and valid. There were no further details. The test substance was not clastogenic.



No data located.


No data located.

Dicarboxylic acids


No data located.


Butanedioic acid, CAS No 110-15-6: In a chromosome aberration test (guideline not specified), Chinese hamster fibroblasts were exposed to the test substance at concentrations up to 1.0 mg/mL in the absence of metabolic activation (Ishidate et al., 1984). The cells were exposed to the test substance at three different doses for 24 and 48 hours. Solvent and negative controls were included but results of the controls were not located. The test substance did not induce chromosomal aberrations in this study.

Hexanedioic acid, CAS No 124-04-9: In an in vitro cytogenetic study in anaphase cells (guideline not specified), human embryonic lung cell cultures (WI-38) were exposed to the test substance in the absence of metabolic activation at concentrations of 0, 2, 20 and 200 ug/mL (USFDA, 1974). Positive and negative controls were included but results of the controls were not located. The test substance did not induce any of the analyzed aberrations (bridges, pseudochiasmata, multipolar cells, and acentric fragments).

1,18-Octadecanedioic acid (CAS No 871-70-5): In an OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test) study, Chinese hamster lung fibroblasts (V79) were exposed to the test substance in the presence and absence of metabolic activation (BSL Bioservice, 2002a). In experiment I, concentrations were tested up to 50 μg/ml without metabolic activation and up to 52.5 μg/mL with metabolic activation. In experiment II, concentrations were tested up to 50 μg/mL without metabolic activation and up to 31.5 μg/mL with metabolic activation. Positive, negative and solvent controls were included and valid. The test substance was not clastogenic.




82

No data located.


No data located.



No data located.


No data located.



No data located.


No data located.

Ammonium salts


No data located.


No data located.

In vivo Studies

Single component


No data located.


No data located.



No data located.


No data located.

Dicarboxylic acids



83

No data located.


Pentanedioic acid, CAS No 110-94-1: In an in vivo mouse micronucleus study (guideline not specified), groups of four CD-1 mice/sex were administered the test substance by intraperitoneal injection 800 mg/kg bw and sacrificed at 30 or 48 hours (Sterling-Winthrop Research Institute, 1983a). Two additional groups of animals were given two injections of 800 mg/kg bw at 0 and 24 hours and sacrificed at 48 or 72 hours, respectively, after the first dose. Similar groups, serving as the positive and negative control, were evaluated concurrently (results from controls not located). The test substance did not produce a statistically significant increase in micronuclei in any of the treated groups, and was determined to be negative in this assay.

Hexanedioic acid, CAS No 124-04-9: (1) In an in vivo Rat Cytogenetic Chromosomal Aberration Assay (guideline not specified), groups of male Sprague-Dawley CD rats/group [(nine negative controls and five positive controls); five per dose group for the subacute study (three negative controls)] were administered the test substance by oral gavage (USFDA, 1974). In the acute tests, animals were given a single dose of the test substance (Test I: 0, 3.75, 37.5, 375 mg/kg bw; Test II: 0, 5000 mg/kg bw) and killed 6, 24, or 48 hours after administration. For the subacute tests, animals were given 5 doses (Test I: 0, 3.75, 37.5, 375 mg/kg bw; Test II: 0, 2500 mg/kg bw) 24 hours apart and killed six hours after the last dose. Positive and negative controls were included and valid. The test substance was not mutagenic.

(2) In an in vivo dominant lethal assay, groups of ten male rats were administered the test substance by gavage for five days at doses of 3.75-375 mg/kg (experiment I); 5000 mg/kg (experiment II) or 2500 mg/kg (experiment II) (US FDA, 1974). Following treatment, the males were sequentially mated to two females per week for eight weeks. Females were sacrificed 14 days after separating from the male, and at necropsy the uterus was examined for early deaths, late fetal deaths, and total implantations. The fertility index, preimplantation loss, and lethal effects on the embryos were determined. Positive and negative controls were included and valid. There was no effect of treatment and the test substance was concluded to not induce dominant lethal mutations.



No data located.


No data located.



No data located.


No data located.



No data located.


84


No data located.

Ammonium salts


No data located.


No data located.

Table 14. Genotoxicity Data

CAS Name CAS Number

Gene Mutation Chromosome Aberration

Test/Result Reference Test/Result Reference

Single component

Sponsored substances Octanoic acid; 124-07-2 OECD 471/negative Henkel, 1981i No data located -

Isooctadecanoic acid; 30399-84-9 OECD 471/negative NOTOX, 1996 No data located -


Ames test/negative Scheutwinkel-Reich et al., 1980

Similar to OECD 473/negative

Microbiological Associates, 1994

Comparable to OECD 471/negative

Microbiological Associates, 1993a

comparable to OECD Guideline 476/negative

Microbiological Associates, 1993b


OECD 471/negative

Mortelmans et al., 1986; Shimizu et al., 1985; Nakamura and Yamamoto, 1983

No data located -


OECD 471/negative Zeiger et al. , 1987 No data located -

Supporting substances Heptanoic acid; 111-14-8

OECD 471/negative Zeiger, 1992 No data located -

Hexanoic acid; 142-62-1

OECD 471/negative Henkel, 1981a No data located -

Docosanoic acid; 112-85-6

OECD 471/negative JETOC, 2000 OECD 473/negative JETOC, 2000


Supporting substances (no data located) Fatty acids, tall-oil; 61790-12-3

Similar to OECD 471/negative Pharmakon, 1983b No data located -

Dicarboxylic acids Decanedioic acid; 111-20-6 OECD 471/negative Thompson, 1992 No data located -

Supporting substances Butanedioic acid; 110-15-6 Ames test/negative Ishdate, 1994 In vitro chromosome

aberration/negative Ishdate, 1994

Pentanedioic acid; 110-94-1 Ames test/negative Sterling-Winthrop Research

Institute, 1978 In vivo mouse micronucleus/negative


85

CAS Name CAS Number

Gene Mutation Chromosome Aberration

Test/Result Reference Test/Result Reference

Mouse lymphoma forward mutation/negative

Sterling-Winthrop Research Institute, 1981

Sterling-Winthrop Research Institute, 1983a

InVitro Transformation of Balb/3T3 Cells/positive

Sterling-Winthrop Research Institute, 1981b

Hexanedioic acid; 124-04-9

Ames test/negative Prival et al., 1991 In vivo rat Chromosomal Aberration /negative

USFDA, 1974

in vitro cytogenetic human embryonic lung cells/negative

USFDA, 1974

In vivo rat Dominant Lethal Assay/negative USFDA, 1974

Octadecanedioic acid; 871-70-5 OECD 471/negative RCC Cytotest, 2001 OECD 473/negative BSL Bioservice, 2002a

Dodecanedioic acid; 693-23-2

Bacterial reverse mutation/negative OECD/SIDS, 1994 No data located -



OECD 471/negative Henkel, 1988c No data located -


Sponsored substances (no data located)

Supporting substances (no data located) Magnesium and calcium salts2



Comparable to OECD 471/negative Busch, 1982

No data located -

Supporting substances (no data located)

Ammonium salts2


Supporting substance 9,10-Dihydroxy-octadecanoic acid, ammonium salt; 84753-04-8

OECD 471/negative Henkel, 1991b No data located -



Conclusion

The sponsored and supporting aliphatic acids are not mutagenic or clastogenic in vitro and the supporting aliphatic acids are not mutagenic or clastogenic in vitro or in vivo. Studies were similar to OECD 471 and 473. The weight of evidence indicates that members of the aliphatic acids group are not anticipated to be genotoxic.

3.1.7 Carcinogenicity

No data located.


86

3.1.8 Toxicity for Reproduction

Effects on fertility from ninety day studies are available for three sponsored substances; a developmental study was located for one sponsored substance. Additional effects on fertility and developmental toxicity studies were located for the supporting substances. Tables 15 and 16 summarize the effects on fertility and developmental studies, respectively.

Studies in Animals

Effects on Fertility

Single component


9-Octadecenoic acid, (Z)- (CAS No 112-80-1): In a 90 day study (no guideline specified), groups of ten Charles River rats/sex/group were administered the test substance in the diet at 0, 3300, 6100, 14,000 mg/kg bw/day (Hercules, 1969; see Section 3.1.5 for details). There were no effects on gonads weights, and no gross or histopathological findings for testes, seminal vesicle, ovary, uterus, or prostate. The NOAEL for reproductive effects was 14,000 mg/kg bw, the highest dose tested.

9,12-Octadecadienoic acid (CAS No 60-33-3): A group of twenty male Fischer 344 rats were administered the test substance in the diet at a dose of ca. 467 - 1970 mg/kg bw/day for 36 weeks (Scimeca, 1998; see Section 3.1.5 for details). There were no effects on testes weights, no findings at gross necropsy or histopathological findings in the testes; the NOAEL for male reproductive effects was = 467 - 1970 mg/kg bw/day, the highest dose tested.


Docosanoic acid, CAS No 112-85-6: In an OECD 422 study (See Section 3.1.5 for details), Crj: CD(SD) rats (13/sex/dose) were exposed to 0, 100, 300, or 1000 mg/kg bw/day of the test substance via oral gavage (JETOC, 2000). For males the exposure period was 42 days; for females the exposure period was from 14 days prior to mating to day 3 of lactation (minimum of 39 days of exposure). There were no effects on gonadal function, mating behaviour, conception, development of the conceptus or parturition. The NOAEL for reproductive toxicity is >= 1000 mg/kg bw/day, the highest dose tested.



No data located.


Fatty acids, tall-oil, CAS No 61790-12-3: In a two generation study (similar to OECD 416; the initial treatment period was decreased to three weeks versus ten weeks), groups of Sprague-Dawley rats (30 females/15 males/dose) were administered 0, 5 or 10% of the test substance in the diet, (equivalent to approximately 0, 2500 or 5000 mg/kg bw/day; Pharmacopathics Research Laboratories, Inc., 1975). The parental (F0) generation began treatment at 80 days of age and were mated at 100 days of age. Treatment continued through the weaning of the first generation (F1). After weaning, 20 F1 males and 20 F1 females per group were maintained on the parental diet. At 100 days of age, these rats were mated and allowed to deliver pups (F2). Treatment did not affect the number of live born or stillborn F1 litters and pups, or F1 weaning weight. No treatment-related changes in fertility, viability, lactation, or gestation indices were measured. Hematology, clinical chemistry and urinalysis parameters were unchanged, and gross and microscopic pathology revealed no treatment-related


87

effects. The NOAEL for reproductive toxicity is >= ca. 5000 mg/kg bw/day for rats exposed for two generations.

Dicarboxylic acids


No data located.


Hexanedioic acid, CAS No 124-04-9: Male Carworth Farms rats (20/dose) were fed 0, 0.1, 1.0, 3.0 or 5.0% diet (0, 47, 1500, 2700 mg/kg bw/day) in the diet and females were fed either 0% (10 animals) or 1.0% (19 animals; 63 mg/kg bw) for 2 years (Horn et al., 1957; Hazelton, 1952; see Section 3.1.5 for details). There were no effects on testes weight. There were no histopathological findings for testes, ovaries or uterus. The NOAEL for effects on reproductive endpoints was 2700 mg/kg bw/day (males) and 63 mg/kg bw (females), the highest doses tested.

Dodecanedioic acid, CAS No 693-23-2: In an OECD 422 study, groups of twelve Crl:CD BR rats/dose were exposed to 0, 100, 500, or 1000 mg/kg bw/day of the test substance by oral gavage (OECD SIDS, 1994). There were no effects on reproductive endpoints (mating index, fertility index, gestation index, pups born alive, viability index, and litter survival). The NOAEL for reproductive toxicity is >= 1000 mg/kg bw/day, the highest dose tested.



No data located.


No data located.



No data located.


No data located.



Octadecanoic acid, magnesium salt (CAS No 557-04-0): In a study conducted similar to OECD Guideline 408 (Repeated Dose 90-Day Oral Toxicity in Rodents), groups of twenty Wistar rats/sex/group were administered the test substance in the diet at 4000, 8000, 16,000 mg/kg bw/day for 90 days (Sondergarrd et al., 1980; see Section 3.1.5 for details). There were no effects on reproductive organ weight or at gross necropsy for the testes and ovaries, and no histopathological findings for the testes, ovaries or uterus. The NOAEL for reproductive effects was 4000 mg/kg bw, the highest dose tested.


No data located.


88

Ammonium salts


No data located.


No data located.

Table 15. Summary of Reproductive Toxicity CAS Name and CAS Number

Test guideline

Species, sex

Exposure doses (mg/kg bw/d); duration

NOAEL (mg/kg bw) Reference

Single component

Sponsored substances 9-Octadecenoic acid, (Z)-; 112-80-1

Not specified Rat, M/F 0, 3300, 6100, 14,000; 90 d

14,000 Hercules, 1969


Not specified Rat, M 467-1970; 90 d 467 - 1970 Scimeca, 1998

Supporting substances Docosanoic acid; 112-85-6

OECD 422 Rat, M/F 0, 100, 300, 1000; 42d (males), 14d

pre- mating to lactation day 3

(females)

1000 JETOC, 2006



Supporting substances Fatty acids, tall-oil; 61790-12-3

Similar to OECD 416

Rat, M/F 0, 2500, 5000; F0: 3 wks prior to mating, through the weaning F1. F1 treated to 100 days of age, mated and allowed to deliver pups (F2)

5000 (F0, F1) Pharmacopathics Research Laboratories, Inc., 1975

Dicarboxylic acids




Not specified Rat, M/F 0, 47, 1500, 2700

(M); 0, 63 (F); 2 yrs 2700 (M); 63 (F) Horn et al., 1957;

Hazelton, 1952


OECD 422 Rat, M/F 0, 100, 500, 1000; 54 d

Parental and reproductive = 1000

OECD SIDS, 1994





Supporting substance (no data located)


89




Similar to OECD 408

Rat, M/F 4000, 8000, 16,000; 90 d

4000 Sondergarrd et al., 1980

Supporting substance (no data located)

Ammonium salts2


Supporting substances(no data located)



Developmental Toxicity

Single component


9,12-Octadecadienoic acid (CAS No 60-33-3): In a study following the Chernoff/Kavlock Developmental Toxicity Screen, groups of female ICR/SIM mice (26-30/dose) were treated via oral gavage on gestation days 8-12 with 10,000 mg/kg bw/day of the test substance (Seidenberg and Becker, 1987). There were no effects on number of litters, number of resorptions, number of pups/litter, number of live and dead births, postnatal survival rates, pup weights at days 1 and 3 or external abnormalities among dead pups. The NOEL for developmental toxicity is >= 10,000 mg/kg bw/day for mice with exposure on gestation days 8-12.


Docosanoic acid, CAS No 112-85-6: In an OECD 422 study (See Section 3.1.5 for details), groups of Crj: CD(SD) rats (13/sex/dose) were exposed to 0, 100, 300, or 1000 mg/kg bw/day of the test substance via oral gavage (JETOC, 2000). For males, the exposure period was 42 days; for females from 14 days prior to mating to day 3 of lactation (minimum of 39 days). The number of live and stillborn pups was noted as well as the number that died postpartum. On day 4 of lactation, pups were necropsied. There were no effects on developmental parameters. The NOAEL for developmental toxicity is >= 1000 mg/kg bw/day, the highest dose tested.



No data located.


Fatty acids, tall-oil, CAS No 61790-12-3: In a two generation study (similar to OECD 416; the initial treatment period was decreased to three weeks versus ten weeks), groups of Sprague-Dawley rats (30 females/15 males/dose) were administered 0, 5 or 10% of the test substance in the diet, (equivalent to approximately 0, 2500 or 5000 mg/kg bw/day; Pharmacopathics Research Laboratories, Inc., 1975). The parental (F0) generation began treatment at 80 days of age and were mated at 100 days of age. Treatment continued through the weaning of the first generation (F1). After weaning, 20 F1


90

males and 20 F1 females per group were maintained on the parental diet. At 100 days of age, these rats were mated and allowed to deliver pups (F2). Treatment did not affect the number of live born or stillborn F1 litters and pups, or F1 weaning weight. No treatment-related changes in fertility, viability, lactation, or gestation indices were measured. Hematology, clinical chemistry and urinalysis parameters were unchanged, and gross and microscopic pathology revealed no treatment-related effects. The NOAEL for developmental toxicity is >= ca. 5000 mg/kg bw/day for rats exposed for two generations.

Dicarboxylic acids


No data located.


Pentadecanoic acid, CAS No 110-94-1: In a standard developmental study (guideline not specified), groups of 25 female CD rats were exposed to 0, 125, 400 or 1300 mg/kg bw of the test substance via oral gavage on gestation days 6-15 with caesarean section on day 20 (Sterling-Winthrop Research Institute, 1984; Bradford et al., 1984). There were two deaths at 1300 mg/kg bw. Mean body weight gains were decreased only in the 1300 mg/kg bw dose group (during the dosing period); mean body weight gains post-dosing (gestation days 15-20) were normal compared to control. Clinical signs observed at 1300 mg/kg bw included salivation, rales, nasal discharge, slight inactivity, labored breathing, decreased body temperature, soft stools, and staining around the mouth, nares, and anogenital area. At 400 mg/kg bw, clinical signs included salivation, rales, and nasal discharge. No adverse effects were observed on body weight, general appearance, or behavior of rats at 125 mg/kg bw. The NOAEL for maternal toxicity is 125 mg/kg bw/day for rats exposed on gestation days 6-15. No adverse effects on pregnancy or no teratogenic effects were observed. The NOAEL for developmental toxicity is >= 1300 mg/kg bw/day for rats exposed on gestation days 6-15.

Hexanedioic acid, CAS No 124-04-9: Groups of female Wistar rats (24-25/dose) were exposed via oral gavage to 0, 2.9, 13, 62 and 288 mg/kg bw of the test substance on gestation days 6-15 with cesarean section on day 20 (guideline not specified; USFDA, 1972). No adverse effects on pregnancy, and no embryotoxic or teratogenic effects were observed. The NOAEL for maternal and developmental toxicity is >= 288 mg/kg bw/day, the highest dose tested, for rats exposed on gestation days 6-15.

Dodecanedioic acid, CAS No 693-23-2: In an OECD 422 study, Crl: CD BR rats were exposed to 0, 100, 500, or 1000 mg/kg bw/day of the test substance (OECD SIDS, 1994). After 14 days of dosing, rats were mated within the treatment groups and allowed to produce litters. Dosing continued through mating, gestation and lactation until day 54. There were no effects on developmental parameters. The NOAEL for parental toxicity and developmental toxicity is >= 1000 mg/kg bw/day, the highest dose tested.



No data located.


No data located.



91


No data located.


No data located.



No data located.


No data located.

Ammonium salts


No data located.


No data located.

Table 16. Summary of Developmental Toxicity CAS Name and CAS Number

Test guideline Species, sex Exposure doses (mg/kg bw/d) ; duration

NOAEL (mg/kg bw) Reference

Single component

Sponsored substances 9,12-Octadecadienoic acid; 60-33-3

Chernoff/Kavlock Developmental Toxicity Screen

Mice, F 10,000; GD 8-12 10,000 Seidenberg and Becker, 1987



OECD 422 Rat, M/F 0, 100, 300, 1000; 42d (males), 14d

pre- mating to lactation day 3

(females)

1000 JETOC, 2006

Alkyl ranges and source based Sponsored substances(no data located)

Supporting substances Fatty acids, tall-oil; 61790-12-3

Similar to OECD 416


>=5000 (F0, F1) Pharmacopathics Research Laboratories, Inc., 1975


92

Similar to OECD 416


>=5000 (F0, F1) Pharmacopathics Research Laboratories, Inc., 1977

Dicarboxylic acids



Pentanedioic acid; 110-94-1

Not specified Rat, F 0, 125, 40, 1300; gestation days 6-15

maternal = 125; developmental = 1300

Sterling-Winthrop Research Institute, 1984; Bradford et al., 1984


Not specified Rat, F 0, 2.9, 13, 62, 288; gestation days 6-15

Maternal and developmental = 288

USFDA, 1972


Not specified Rat, M/F 0, 100, 500, 1000; 54 d

Parental and developmental = 1000

OECD SIDS, 1994


Sponsored substances (no data located) Sodium and potassium salts2



Sponsored substances(no data located) Supporting substances (no data located)

Ammonium salts2




Conclusion

No reproductive (similar to OECD 408 or 422), or developmental (similar to OECD 422 or 416) effects were observed in studies on the sponsored or supporting aliphatic acids and the NOAELs correspond to the maximum dose tested. The weight of evidence supports the lack of reproductive and developmental toxicity potential of the aliphatic acids group.

The Aliphatic Acids category members possess properties indicating a hazard for human health (severe skin irritation/corrosion for C6-C10, irritating to the eye for C8-C12, and irritating to the eye for dicarboxylic acids, based on read-across to supporting substances). Adequate screening-level data are available to characterize the hazard to human health for the purposes of the OECD HPV Chemicals Programme.


93

4 HAZARDS TO THE ENVIRONMENT

4.1 Aquatic Effects

Data on the sponsored and supporting aliphatic acids are available from acute toxicity studies in fish, invertebrates and aquatic plants. Estimated values are also provided for all category members (Tables 17, 18, and 19), and are estimated from the ECOSAR Program (v1.00).

Acute Toxicity Test Results

Fish

Acute toxicity to fish data are available for sponsored and/or supporting substances under Single component, Alkyl ranges and source based, Dicarboxylic acids, Fatty acid distillation residues and Sodium and potassium salts.

Single component


Octanoic acid (CAS No 124-07-2): In an acute toxicity study to fish (no guideline specified), groups of Oryzias latipes were exposed to the test substance for 48 hours under semi-static conditions (Onitsuka et al., 1989). The test was conducted in both fresh and seawater. Test concentrations were not specified. The 48 hour LC50 was = 57 mg/L in freshwater (nominal, Tween 80 dispersant used) and = 150 mg/L in saltwater (measured).

Nonanoic acid (CAS No 112-05-0): In an acute toxicity to fish study (no guideline specified), groups of Pimephales promelas were exposed to the test substance under flow-through conditions for 96 hours (Brooke et al., 1984). The measured concentrations were <2, 20.6, 28.2, 49, 80.2 and 120 mg/L. The 96 hour LC50 was = 104 mg/L (measured).

Decanoic acid (CAS No 334-48-5): In an acute toxicity study to fish (no guideline specified), groups of Oryzias latipes were exposed to the test substance for 48 hours under semi-static conditions (Onitsuka et al., 1989). The test was conducted in both fresh and seawater. Test concentrations were not specified. The 48 hour LC50 was = 20 mg/L in freshwater (nominal, Tween 80 dispersant used) and = 31 mg/L in saltwater (measured).

Dodecanoic acid (CAS No 143-07-7): In an OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under static conditions (Henkel KGaA, 2001k). The nominal concentrations were 2.8, 16.0, 90 and 250 mg/L. The 96 hour LC50 was 150 mg/L (nominal; exceeds the water solubility of the substance).

Tetradecanoic acid (CAS No 544-63-8): In a study similar to OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Leuciscus idus were exposed to the test substance for 96 hours under semi-static conditions (Henkel KGaA, 2001l). The nominal concentrations were 1, 3, 30, 100, 300, 1000, 3000 and 10000 mg/L. The concentrations tested may have exceeded the water solubility of the test substance and the oxygen concentrations did not remain above 60% saturation, such that the mortality observed at 300 mg/L may be due to physical effects or lack of oxygen and not to the test material. The 96 hour LC50 was >100 - <300 mg/L (nominal).

Hexadecanoic acid (CAS No 57-10-3): In a study similar to OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under semi-static conditions (Henkel KGaA, 1981k). The nominal exposure concentrations were 0.1, 0.5, 2.8, 16, 90, 250 and 1000 mg/L. The 96 hour LC50 was >1000 mg/L (nominal).


94

Octadecanoic acid (CAS No 57-11-4): In an OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under static conditions (RCC NOTOX, 1989d). Both filtered (saturated) and unfiltered (oversaturated) solutions (1000 mg/L nominal) were tested. The 96 hour LC50 was >1000 mg/L (nominal; exceeds the water solubility of the substance).

Isooctadecanoic acid (CAS No 30399-84-9): In a study conducted according to Evaluation of water-endangering materials, determination of the acute fish toxicity, Ad-hoc-working group 1, groups of Cyprinus carpio were exposed to the test substance under static conditions for 48 hours at nominal concentrations of 1.0, 1.8, 3.2, 5.6, 10, 18, 32, 56 and 100 mg/L (RCC NOTOX, 1988e). The 48 hour LC50 was 13.4 mg/L (dispersant used; exceeds the estimated water solubility of the substance).

9-Octadecenoic acid, (Z)- (CAS No 112-80-1): Following an internal company method, groups of Oncorhynchus mykiss were exposed to the test substance under semi-static conditions for 96 hours at nominal concentrations of 0, 5.6, 10, 18, 32 and 56 mg/L (Unilever, 1988). The 96 hour LC50 was >56 mg/L (nominal; highest concentration tested, exceeds the estimated water solubility of the substance).


Hexanoic acid (CAS No 142-62-1): Groups of Pimephales promelas were exposed to the test substance for 96 hours under flow through conditions (Brooke et al., 1984). The measured, average test concentrations were <18, 170, 263, 406, 700, and 994 mg/L. A guideline was not specified. The 96 hour LC50 for fathead minnows was 320 mg/L (measured).

9,10-Dihydroxy-octadecanoic acid (CAS No 120-87-6): In an EU 92/69/EWG study, groups of Danio rerio were exposed to the test substance under semi-static conditions for 96 hours (Henkel, 1997a). The nominal concentrations were 0, 1, 100, 1000, 3000, and 10000 mg/L. Results are given in terms of the concentrations of the solutions from which the WAF were prepared. The actual concentrations in the test solutions are not known. The 96 hour LC50 was > 10,000 mg/L (nominal).



Fatty acids, C6-12 (CAS No 67762-36-1): In an OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under semi-static conditions (Henkel KGaA, 2001i). The nominal exposure concentrations were 16, 22, 32, 45, 64, and 90 mg/L. The 96 hour LC50 was = 38 mg/L (nominal; exceeds the water solubility of some of the components of this substance).

Fatty acids, C16-18 (CAS No 67701-03-5): In a study similar to OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Leuciscus idus were exposed to the test substance for 48 hours under static conditions (Henkel KGaA, 1983b). The nominal concentrations were 0.1, 0.5, 2.8, 16, 90, 250 and 1000 mg/L. The 96 hour LC50 was >1000 mg/L (nominal; exceeds the water solubility of the components of this substance).

Fatty acids, C18-22 (CAS No 90990-11-7): In a study similar to OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under semi-static conditions (Henkel KGaA, 2001p). The nominal exposure concentrations were 0.1, 0.5, 2.8, 16, 90, 250, and 1000 mg/L. The 96 hour LC50 was >1000 mg/L (nominal; exceeds the water solubility of the components of this substance).

Fatty acids, C14-18 and C16-18-unsaturated (CAS No 67701-06-8): In an OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours


95

under semi-static conditions (Henkel, 2001m). The nominal concentrations were 0.1, 0.5, 2.8, 16, 90, 250 and 1000 mg/L. The 96 hour LC50 was >1000 mg/L (nominal; exceeds the water solubility of the components of this substance).

Fatty acids, C16-18 and C18-unsaturated (CAS No 67701-08-0): In a study similar to OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under semi-static conditions (Henkel KGaA, 2001o). The nominal exposure concentrations were 64, 90, 130, 180, 250 and 360 mg/L. There was evidence of undissolved material (e.g. precipitate, surface film, etc); undissolved test substance may have been present during the test. The 96 hour LC50 was 300 mg/L (nominal; exceeds the water solubility of the components of this substance).

Fatty acids, tallow (CAS No 61790-37-2): In an OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Cyprinus carpio were exposed to the test substance for 96 hours under static conditions (RCC NOTOX, 1989c). The test concentrations were not reported. Two solutions were tested: one test solution was filtered over a paper filter (saturated) and the other test solution was unfiltered (oversaturated). There were no adverse effects and no mortality. The test substance was not toxic at its solubility limit in water (ca. <= 1 mg/L).

Supporting substances:

Fatty acids, sunflower, conjugated (CAS No 68953-27-5): In a study similar to OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under semi-static conditions to nominal concentrations of 90, 130, 180 and 250 mg/L (Henkel KGaA, 1982). The 96-hour LC50 was 110 mg/L.

Dicarboxylic acids


Nonanedioic acid (CAS No 123-99-9): In a study similar to OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Leuciscus idus were exposed to the test substance for 48 hours under static conditions (Henkel KGaA, 2001n). The nominal concentrations were 10, 12.5, 15, 20, 30, 40, 50, 60, 70, 100, 150, 200, 250, 300, 400, 500, 600, 700, 800 and 1000 mg/L. The 96 hour LC50 was 310 mg/L (nominal).

Decanedioic acid (CAS No 111-20-6): In an OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under static conditions (Union Camp, 1993a). The nominal concentration was 15.0 mg/L. The measured concentrations were 9.81 mg/L at 0 hours and 10.1 and 9.09 mg/L at 48 hours (2 replicates). The mean measured concentration was 9.67 mg/L. The 96 hour LC50 was >9.67 mg/L (measured).


Hexanedioic acid (CAS No 124-04-9): Groups of pimephales promelas were exposed to the test substance for 96 hours under static conditions (Mattson et al., 1976). Further details were not located. The 96 hour LC50 was 97 mg/L (nominal).

Octadecanedioic acid (CAS No 871-70-5): In a OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under semi-static conditions (Henkel KGaA, 2000c). The nominal exposure concentrations were 0, 1 and 100 mg/L. After 24 hours the measured concentrations ranged from 0.15-0.22 mg/L (1 mg/L nominal) and 0.14-0.22 (100 mg/L nominal). The 96 hour LC50 was > 100 mg/L (WAF = 0.14-0.22 mg/L measured).



96


Fatty acids, C8-18 and C18 unsaturated, distillation residues (CAS No 70321-72-1): In an OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under semi-static conditions (Henkel KGaA, 2001h). The nominal exposure concentrations were 90, 130, 180, 250, 360, 500, 700, and 1000 mg/L, which is higher than the water solubility of the tested substance. The test substance may have been present in the test vessels in the form of undissolved (dispersed) matter, although undissolved material was not observed. The 96-hour LC50 for zebra fish was 620 mg/L (nominal).



Octanoic acid, sodium salt (CAS No 1984-06-1): In an acute toxicity study to fish (no guideline specified), groups of Oryzias latipes were exposed to the test substance for 96 hours under semi-static conditions (Onitsuka et al., 1989). Test concentrations were not specified. The 96 hour LC50 was = 310 mg/L (nominal).

Decanoic acid, sodium salt (CAS No 1002-62-6): In an acute toxicity study to fish (no guideline specified), groups of Oryzias latipes were exposed to a saturated solution of the test substance for 96 hours under semi-static conditions (Onitsuka et al., 1989). Test concentrations were not specified. The 96 hour LC50 was = 54 mg/L in saltwater (nominal, Tween 80 dispersant used exceeds the water solubility of the substance).

Dodecanoic acid, sodium salt (CAS No 629-25-4): In an acute toxicity study to fish (no guideline specified), groups of Oryzias latipes were exposed to a saturated solution of the test substance for 96 hours under semi-static conditions (Onitsuka et al., 1989). Test concentrations were not specified. The 96 hour LC50 was = 11 mg/L in saltwater (nominal; exceeds the water solubility of the substance).

Tetradecanoic acid, sodium salt (CAS No 822-12-8): In an acute toxicity study to fish (no guideline specified), groups of Oryzias latipes were exposed to the test substance for 96 hours under semi-static conditions (Onitsuka et al., 1989). Test concentrations were not specified. The 96 hour LC50 was = 118 mg/L (nominal).

Hexadecanoic acid, sodium salt (CAS No 408-35-5): In an acute toxicity study to fish (no guideline specified), groups of Oryzias latipes were exposed to the test substance (saturated solution prepared at a maximum of 1000 mg/L) for 96 hours under semi-static conditions (Onitsuka et al., 1989). Test concentrations were not specified. The 96 hour LC50 was = 150 mg/L (nominal).

Octadecanoic acid, sodium salt (CAS No 822-16-2): In an acute toxicity study to fish (no guideline specified), groups of Oryzias latipes were exposed to the test substance for 96 hours under semi-static conditions (Onitsuka et al., 1989). Test concentrations were not specified. The 96 hour LC50 was = 125 mg/L (nominal).

9-Octadecenoic acid, (Z)-, potassium salt (CAS No 143-18-0): In an acute toxicity, groups of Lepomis macrochirus were exposed to the test substance under static conditions for 96 hours (USEPA, 2000). Further details were not located. The 96 hour LC50 was = 23 mg/L (not specified; exceeds the water solubility of the substance).


Fatty acids, C16-18 and C18-unsaturated, sodium salts (CAS No 68424-26-0): In a study similar to an OECD Guideline 203 (Fish, Acute Toxicity Test), groups of Danio rerio were exposed to the test substance for 96 hours under semi-static conditions (Henkel KGaA, 2001s). The nominal


97

exposure concentrations were 16, 32, 45, 64 and 90 mg/L. The 96-hour LC50 for zebra fish was 54 mg/L (nominal).



No data located.


No data located.

Ammonium salts


No data located.


Table 17. Summary of Aquatic Effects (Fish)

CAS No Species/Test method LC50 (mg/L), 96 hr Reference Estimated values (ECOSAR 1.0;

Aliphatic amines) (96 hr, mg/L)

Single component Octanoic acid;

124-07-2 Oryzias latipes/not

specified 57 (freshwater, nominal), 150 (seawater, measured);

48 hr

Onitsuka et al., 1989 137 (Neutral Organics-acid)

Cyprinus carpio/ Bewertung

wassergefahrdender Stoffe, Bestimmung der akuten Fischtoxizitat, Ad-hoc-

Arbeitsgruppe 1 (Obmann Dr. Niemitz), LTWS, Nr.

10, September 1979.

320 (NOEC, 48 hr; not specified)

RCC NOTOX, 1988d

Nonanoic acid; 112-05-0

Pimephales promelas/not specifed

104 (measured) Brooke et al., 1984 55.6 (Neutral Organics-acid)


Oryzias latipes/not specified

20 (freshwater, nominal), 31 (seawater, measured); 48 hr

Onitsuka et al., 1989 22.4 (Neutral Organics-acid)


Danio rerio/ OECD 203 150 (nominal) Henkel KGaA, 2001k 3.6 (Neutral Organics-acid) Oryzias latipes/not

specified 8.6 (freshwater, nominal), >5.4(seawater, measured);

48 hr

Onitsuka et al., 1989


Leuciscus idus/similar to OECD 203

>100 - <300 (nominal) Henkel KGaA, 2001l 0.554 (Neutral Organics-acid)

Hexadecanoic acid; 57-10-3

Danio rerio/similar to OECD 203

>1000 (nominal) Henkel KGaA, 2001k 0.085 (Neutral Organics-acid)(1)


no data located 0.033 (Neutral Organics-acid)(1)


Danio rerio/ OECD 203 >1000 (nominal) RCC NOTOX, 1989d Leuciscus idus/similar to

OECD 203 1000 - 3000 (48 hr; nominal) Henkel KGaA, 1983q 0.013 (Neutral

Organics-acid) Isooctadecanoic acid; 30399-84-9

Cyprinus carpio/ Evaluation of water-

endangering materials, determination of the acute

fish toxicity, Ad-hoc-working group 1

13.4 (nominal, 48 hrs) RCC NOTOX, 1989e 0.015 (Neutral Organics-acid)(1)


98

12-hydroxy-octadecanoic acid;

106-14-9

no data located 0.037 (Neutral Organics-acid)

9-Tetradecenoic acid, (Z)-; 544-64-

9


9-Hexadecenoic acid, (Z)-; 2091-

29-4


9-Octadecenoic acid, (Z)-; 112-80-

1

Oncorhynchus mykiss/not specified

>56 (nominal; highest concentration tested)

Unilever, 1988 0.020 (Neutral Organics-acid)(1)

Lepomis macrochirus/ USEPA 1975, Methods for Acute Toxicity Tests with Fish, Macroinvertebrates and Amphibians, EPA-

660/3-75-00.

66.6 (nominal) Union Carbide, 1977b

9,12-Octadecadienoic acid; 60-33-3 (21)


Octadecadienoic acid (Conjugated

linoleic acid); 121250-47-3




9,12,15-Octadecatrienoic

acid, (Z,Z,Z); 463-40-1


Supporting substances Heptanoic acid;

111-14-8 no data located -


Pimephales promelas/ Guideline not specified

320 (measured) Brooke et al., 1984 -

Oryzias latipes/Guideline not specified

80 (not specified, 48 hr) Onitsuka et al., 1989

Oryzias latipes/Guideline not specified

235 (measured, 48 hr, saltwater)

9,10-Dihydroxy-octadecanoic acid;

120-87-6

Danio rerio /EU 92/69/EWG

> 10000 (nominal) Henkel, 1997a -


no data located -

(9Z,12Z)-octadeca-9,12-

dienoic acid; 9,12-Octadecadienoic acid; 2197-37-7

no data located -


no data located 807 (Neutral Organics-acid)

Fatty acids, C6-10; 68937-74-6

no data located 22.4 (Neutral Organics-acid) (C10)- - 807 (Neutral Organics-acid) (C6)

Fatty acids, C6-12; 67762-36-1

Danio rerio/OECD 203 38 (nominal) Henkel KGaA, 2001i 3.6 (Neutral Organics-acid) (C12) - 807 (Neutral Organics-acid) (C6)

Fatty acids, C8-10; 68937-75-7

no data located 22.4 (Neutral Organics-acid) (C10)-137 (Neutral Organics-acid) (C8)


99

Fatty acids, C14-18; 67701-02-4

no data located 0.013 (Neutral Organics-acid) (C18) -0.554 (Neutral Organics-acid)(C14)

Fatty acids, C16-18; 67701-03-5


>1000 (nominal; 48 hrs) Henkel KGaA, 1983b 0.013 (Neutral Organics-acid) (C18) -0.085 (Neutral Organics-acid)(1)

(C16) Fatty acids, C16-20; 68937-76-8


(C20) 0.085 (Neutral Organics-acid)(1)

(C16) Fatty acids, C18-22; 90990-11-7

Danio rerio/ similar to OECD 203

>100 (nominal) Henkel KGaA, 2001p 0.000289 (Neutral Organics-acid)(C22) -

0.013 (Neutral Organics-acid) (C18)

Fatty acids, C14-22; 68424-37-3

no data located 0.000289 (Neutral Organics-acid)(C22) - - 0.554 (Neutral Organics-acid)(C14)

Fatty acids, C10-16; 68002-90-4


(C16) - 22.4 (Neutral Organics-acid) (C10)

Fatty acids, C12-14; 90990-10-6

no data located 0.554 (Neutral Organics-acid)(C14)- - 3.6 (Neutral Organics-acid) (C12)

Fatty acids, C8-18; 90990-08-2

no data located 0.013 (Neutral Organics-acid) (C18) - 137 (Neutral Organics-acid) (C8)

Fatty acids, C12-18; 67701-01-3

no data located 0.013 (Neutral Organics-acid) (C18) -3.6 (Neutral Organics-acid) (C12)

Fatty acids, C8-18 and C18-

unsaturated; 67701-05-7



unsaturated; CS 90990-15-1

no data located 0.013 (Neutral Organics-acid) (C18) - 3.6 (Neutral Organics-acid) (C12)

Soaps, stocks, C8-18 and C18 unsaturated

alkyl, acidulated; 68918-39-8


Fatty acids, C12-20 and C12-20


no data located 0.00194 (Neutral Organics-acid)1 (C20) 3.6 (Neutral Organics-acid) (C12)

Fatty acids, C14-18 and C16-22-






>1000 (nominal) Henkel KGaA, 2001m 0.013 (Neutral Organics-acid) (C18) -0.554 (Neutral Organics-acid)(C14)


Danio rerio/ similar to OECD 203

300 (nominal) Henkel KGaA, 2001o 0.013 (Neutral Organics-acid) (C18) -0.085 (Neutral Organics-acid)(1)

(C16)


100

Fatty acids, C16 and C18-


no data located 0.013 (Neutral Organics-acid) (C18) -0.085 (Neutral Organics-acid)(1)

(C16) Fatty acids,

vegetable-oil, unsaturated; 68648-24-8


Fatty acids, tallow; 61790-37-

2

Cyprinus carpio/OECD 203 Not toxic at limit of solubility

RCC NOTOX, 1989c 0.013 (Neutral Organics-acid) (C18) -0.554 (Neutral Organics-acid)(C14)

Lepomis macrochirus/ USEPA 1975. Methods for

acute toxicity tests with fish, macroinvertebrates and amphibians. EPA

660/3-75-009.

1354.4 (measured) Union Carbide Environmental Services, 1977a





Fatty acids, dehydrated castor-

oil; 61789-45-5

no data located 0.013 (Neutral Organics-acid) (C18)

Fatty acids, tallow,

hydrogenated; 61790-38-3


Fatty acids, coco, heavy fractions;

68937-85-9


Fatty acids, coco, hydrogenated;

68938-15-8




Supporting substances Fatty acids, C16-22 and C18-22


no data located -

Fatty acids, tall-oil; 61790-12-3

no data located - Fatty acids, rape-oil;85711-54-2

no data located - Fatty acids, sunflower, conjugated; 68953-27-5

Danio rerio /similar to OECD 203

110 (nominal) Henkel KGaA, 1982 -

Dicarboxylic acids

Carboxylic acids, di-, C4-11; 68937-

72-4


Nonanedioic acid; 123-99-9


310 (nominal; 48 hrs) Henkel KGaA, 2001n 2657.6 (Neutral Organics-acid)(1)


Danio rerio/OECD 203 >9.67 (measured; highest concentration tested)

Union Camp, 1993a 1055.8 (Neutral Organics-acid)(1)


101


837 (not specified) Henkel KGaA, 2001j




Butanedioic acid;110-15-6

no data located -

Pentanedioic acid;110-94-1

no data located -


Pimephales promelas /Guideline not specified

97 (nominal) Mattson et al., 1976 -

Octadecanedioic acid; 871-70-5

Danio rerio/OECD 203 >100 (nominal); WAF = 0.14-0.22

Henkel, 2000c -


no data located -




Fatty acids, C8-18 and C18

unsaturated, distillation

residues; 70321-72-1

Danio rerio/OECD 203 620 (nominal) Henkel KGaA, 2001h 0.013 (Neutral Organics-acid) (C18) - 137 (Neutral Organics-acid) (C8)

Sodium and potassium salts Octanoic acid,

sodium salt; 1984-06-1


310 (nominal) Onitsuka et al., 1989 35,606 (Neutral Organics)

Decanoic acid, sodium salt; 1002-

62-6


54 (nominal; WAF) Onitsuka et al., 1989 5689 (Neutral Organics)

Dodecanoic acid, sodium salt; 629-

25-4


11 (nominal; WAF) Onitsuka et al., 1989 890 (Neutral Organics)

Tetradecanoic acid, sodium salt;

822-12-8


118 (nominal) Onitsuka et al., 1989 137 (Neutral Organics)

Hexadecanoic acid, sodium salt;

408-35-5


150 (nominal) Onitsuka et al., 1989 20.8 (Neutral Organics)

Octadecanoic acid, sodium salt;

822-16-2


125 (nominal) Onitsuka et al., 1989 3.1 (Neutral Organics)

Fatty acids, C6-12, sodium salts;

67762-44-1





unsaturated, sodium salts; 67701-11-5



no data located 3.6 (Neutral Organics-acid) (C12) - 137


102

(Neutral Organics-acid) (C8)



Fatty acids, tallow, sodium

salts; 8052-48-0


Fatty acids, palm-oil, sodium salts;

61790-79-2




no data located 7.4 (Neutral Organics) [C18:2 Na salt (CAS 822-17-3)]


68424-38-4


(C16) Dodecanoic acid, potassium salt;

10124-65-9

no data located 955 (Neutral Organics)


Lepomis macrochirus/not specified

23 (not specified) USEPA, 2000 5.1 (Neutral Organics)(1)

Oncorhynchus mykiss/not specified

9.19 (not specified) USEPA, 2000


unsaturated, potassium salts;

67701-09-1




68002-80-2


Fatty acids, coco, potassium salts;

61789-30-8


Supporting substances Sodium (Z)-

octadec-9-enoate; 9-Octadecenoic

acid, (Z)-, sodium salt; 143-19-1

no data located -



54 (nominal) Henkel KGaA, 2001s -

Fatty acids, C16-22, sodium

salts;68604-80-8

no data located -

Fatty acids, C12-18, potassium

salt;91032-02-9

no data located -

Magnesium and calcium salts Octadecanoic

acid, magnesium salt; 557-04-0

no data located 6.35E-09 (Neutral Organics)(1)


103

Fatty acids, tallow, calcium salts; CS 64755-

01-7


Hexadecanoic acid, calcium salt;

542-42-7


Supporting substance Aluminum

octadecanoate; Octadecanoic

acid, aluminum salt; 637-12-7

no data located -

Ammonium salts Dodecanoic acid, ammonium salt;

2437-23-2

no data located 3841 (Aliphatic amines-acid)(1)


no data located 0.464 (Neutral Organics)

Supporting substance 9,10-Dihydroxy-octadecanoic acid, ammonium salt; 84753-04-8

no data located -

(1) Chemical may not be soluble enough to measure this predicted effect.

Aquatic invertebrate

Acute toxicity to aquatic invertebrate data are available for sponsored and/or supporting substances under Single component, Alkyl ranges and source based and Dicarboxylic acids.

Single component


Octanoic acid (CAS No 124-07-2): In an acute toxicity study to aquatic invertebrates (no guideline specified), groups of Hyale plumosa were exposed to a saturated solution of the test substance for 48 hours under semi-static conditions (Onitsuka et al., 1989). The 48 hour EC50 (saltwater) for amphipods (H. plumulosa) was 128 mg/L (measured).

Decanoic acid (CAS No 334-48-5): In an acute toxicity study to aquatic invertebrates (no guideline specified), groups of Hyale plumosa were exposed to a saturated solution of the test substance for 48 hours under semi-static conditions (Onitsuka et al., 1989). The 48 hour EC50 (saltwater) for amphipods (H. plumulosa) was 41 mg/L (WAF, measured).

Dodecanoic acid (CAS No 143-07-7): In an acute toxicity study to aquatic invertebrates (no guideline specified), groups of Hyale plumosa were exposed to a saturated solution of the test substance (as a water accommodated fraction; WAF) for 48 hours under semi-static conditions (Onitsuka et al., 1989). The 48 hour EC50 (saltwater) for amphipods (H. plumulosa) was >5.6 mg/L (saturated solution, nominal, limit of solubility).

Tetradecanoic acid (CAS No 544-63-8): In an acute toxicity study to aquatic invertebrates (no guideline specified), groups of Hyale plumosa were exposed to a saturated solution of the test substance (as a water accommodated fraction; WAF) for 48 hours under semi-static conditions (Onitsuka et al., 1989). No mortality occurred at saturation in sea water.

9-Octadecenoic acid, (Z)- (CAS No 112-80-1): In a study conducted according to EC Guideline C2 Acute toxicity for Daphnia, EC Directive 79/831, Annex V, groups of Daphnia magna were exposed to the test substance under static conditions for 48 hours at a nominal concentration of 32 mg/L (215


104

mg/L CaCO3 and 54 mg/L CaCO3) (TNO, 1992). The 48 hour EC0 was >=32 mg/L (nominal; highest concentration tested; WAF, 215 mg/L CaCO3 and 54 mg/L CaCO3).

9,12-Octadecadienoic acid (CAS No 60-33-3): In a study conducted according to EU 92/69/EWG, groups of Daphnia magna were exposed to the test substance as a WAF under static conditions for 48 hours at nominal concentrations of 1, 10 and 100 mg/L (Henkel KGaA, 2000b). Measured concentrations at 0 hours were 1.3, 2.2 and 1.3 mg/L and at 48 hours were 0.4, 0.7 and 0.4 mg/L. Results based on nominal concentrations show a clear delineation between no effects at 30 mg/L and complete mortality at 48 hours at the 100 mg/L nominal concentration. However, measured concentrations indicate that the maximum concentration obtained in the WAF was 2.2 mg/L, with no clear distinction between the concentrations tested. The 48 hour EC50 was 55 mg/L (nominal).


Hexanoic acid (CAS No 142-62-1): Groups of Hyale plumulosa were exposed to the test substance in artificial seawater for 48 hours (Onitsuka et al., 1989). Further details were not located. The 48 hour EC50 was 235 mg/L (measured).



Fatty acids, tallow, hydrogenated (CAS No 61790-38-3): In a study conducted according to Static Acute Freshwater Invertebrate Toxicity Study of P1943.01, R.D. Vashon, 2-28-85, based on “Method for acute toxicity tests with fish, macroinvertebrates and amphibians,” (US EPA 1975), groups of Daphnia magna were exposed to the test substance under static conditions for 48 hours at nominal concentrations of 100, 60, 36, 22 and 13 mg/L (Springborn Bionomics, 1985). The EC0 was >= 100 mg/L (nominal).


Fatty acids, C16-22 and C18-22 unsaturated (CAS No 95912-82-6): In a study conducted according to EU 92/69/EWG, groups of Daphnia magna were exposed to the test substance as a WAF under static conditions for 48 hours at nominal concentrations of 0, 96, 112, 46 and 1020 mg/L (Henkel KGaA, 1999). The WAF for nominal concentrations 96 mg/L and 465 mg/L were analyzed and measured concentrations were 1.27 and 1.12 mg/L at 1 hr, 1.10 and 0.66 mg/L at 24 hours, and 0.89 and 0.50 mg/L at 48 hours, respectively. The 48-hour EC50 was > 0.695 mg/L (WAF).

Dicarboxylic acids


Decanedioic acid (CAS No 111-20-6): In an OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test), groups of Daphnia magna were exposed to the test substance under static conditions for 48 hours (Union Camp, 1993b). Nominal concentrations were 1.5, 3.2, 5.6, 10.0, 15.0 mg/L and measured concentrations were 0.16, 0.67, 0.86, 3.86 and 11.6 mg/L. The EC50 was >11.6 mg/L.

9-Octadecenoic acid, (Z)-, potassium salt (CAS No 143-18-0): In an acute toxicity, groups of Daphnia magna were exposed to the test substance under static conditions for 48 hours (USEPA, 2000). Further details were not located. The 96 hour EC50 was = 0.57 mg/L.



105

Butanedioic acid (CAS No 110-15-6): In an acute static test conducted as described in EPA (1975). Ecological Research Series, EPA-600/3-75009 (“Methods for Acute Toxicity Tests with Fish, Macroinvertebrates, and Amphibians”), groups of Daphnia were exposed to the test substance for 48 hours (Randall and Knopp, 1980). No additional details were located. The 48 hour EC50 was 374.2 mg/L (nominal).

Hexanedioic acid (CAS No 124-04-9): In a study conducted according to EG-Richtlinie 79/831/EWG, C.2 “Acute Toxicity for Daphnia”, groups of Daphnia magna were exposed to the test substance for 24 or 48 hours (BASF, 19788a). No further details were located. The 48 hour EC0 was 62.5 mg/L and the 48 hour EC100 was 125 mg/L (nominal or measured not specified).

Octadecanedioic acid (CAS No 871-70-5): In a study conducted according to OECD 202, groups of Daphnia magna were exposed to the test substance under static conditions for 48 hours at nominal concentrations of 1, 3, 10, 30, and 100 mg/L (measured concentrations were <<0.1 mg/L; Henkel KGaA, 2001r). The 48 hour EC50 was >100 mg/L (nominal). Fatty acid distillation residues


No data located.


No data located.



No data located.


No data located.



No data located.


No data located.

Ammonium salts


No data located.


No data located.


106

Table 18. Summary of Aquatic Effects (Aquatic invertebrates) CAS No Species/Test method LC50 (mg/L), 96 hr Reference Estimated values

(ECOSAR 1.0; Aliphatic amines) (48

hr, mg/L) Single component

Octanoic acid; 124-07-2

Hyale plumosa /not specified

128 (measured) Onitsuka et al., 1989 90 (Neutral Organics-acid)

Nonanoic acid; 112-05-0




41 (measured; WAF) Onitsuka et al., 1989 17 (Neutral Organics-acid)



>5.6 (nominal, WAF, limit of solubility)




No mortality at saturation in seawater











106-14-9



9



29-4

no data located 0.148 (Neutral Organics-acid) (1)


1

Daphnia magna/ EC Guideline C2

EC0 >=32 (nominal; highest concentration tested; WAF, water hardness of 54 or 215

mg/L)

TNO, 1992 0.026 (Neutral Organics-acid)(1)

9,12-Octadecadienoic

acid; 60-33-3

Daphnia magna/ EU 92/69/EWG 55

(nominal, WAF) Henkel KGaA, 2000b

0.039 (Neutral Organics-acid)(1)







acid, (Z,Z,Z); 463-40-1





Hyale plumulosa,/no guideline specifed

235 (measured,48 hr, saltwater)

Onitsuka et al. 1989 -


120-87-6

no data located -


no data located -


107



no data located -



Fatty acids, C6-10; 68937-74-6

no data located 17 (Neutral Organics-acid ) (C10) - 459 (Neutral Organics-acid) (C6)

Fatty acids, C6-12; 67762-36-1


Fatty acids, C8-10; 68937-75-7

no data located 17 (Neutral Organics-acid ) (C10) - 90 (Neutral Organics-acid) (C8)

Fatty acids, C14-18; 67701-02-4


Fatty acids, C16-18; 67701-03-5

no data located Fatty acids, C16-20; 68937-76-8

no data located 0.003 (Neutral Organics-acid)(1) (C20) -0.100 (Neutral Organics-acid)(1) (C16)

Fatty acids, C18-22; 90990-11-7


- 0.018 (Neutral Organics-acid) (C18)

Fatty acids, C14-22; 68424-37-3


Fatty acids, C10-16; 68002-90-4

no data located 0.100 (Neutral Organics-acid)(1) (C16) - 17 (Neutral Organics-acid ) (C10)

Fatty acids, C12-14; 90990-10-6

no data located 0.563 (Neutral Organics-acid) (C14)– 3.1 (Neutral Organics-acid) (C12)

Fatty acids, C8-18; 90990-08-2


Fatty acids, C12-18; 67701-01-3












108



no data located 0.003 (Neutral Organics-acid)(1) (C20) - 3.1 (Neutral Organics-acid) (C12)








no data located 0.018 (Neutral Organics-acid) (C18) -0.100 (Neutral Organics-acid)(1) (C16)

Fatty acids, C16 and C18-



Fatty acids, vegetable-oil, unsaturated; 68648-24-8



2


Fatty acids, palm-oil; 68440-15-3)





oil; 61789-45-5




Daphnia magna/Static Acute Freshwater

Invertebrate Toxicity Study of P1943.01, R.D. Vashon, 2-28-85, based on “Method for acute toxicity tests with

fish, macroinvertebrates and amphibians,” (US EPA

1975)

EC0 >100 (nominal) Springborn Bionomics, 1985

0.018 (Neutral Organics-acid) (C18) -0.563 (Neutral Organics-acid) (C14)

Fatty acids, coco, heavy fractions;

68937-85-9



68938-15-8






Daphnia magna /EU 92/69/EWG

0.695 (WAF, measured) Ozkabakcioglu, 1999 -


109




no data located -

Dicarboxylic acids


72-4





Daphnia magna/OECD 202 >11.6 (nominal) Union Camp, 1993b 612.5 (Neutral Organics-acid)





Daphnia/EPA (1975) 374.2 (nominal, 48 hrs) Randall and Knopp, 1980

-


no data located -


Daphnia magna /EG-Richtlinie 79/831/EWG, C.2 “Acute Toxicity for

Daphnia”

Ec0 = 62.5, EC100 = 125 (not specified)

BASF, 1988a -


Daphnia magna/OECD 202 >100 (nominal) Henkel KGaA, 2001r -


no data located -







no data located 0.018 (Neutral Organics-acid) (C18) -90 (Neutral Organics-acid) (C8)



no data located 13,317 (Neutral Organics)


62-6



25-4



822-12-8



408-35-5



822-16-2



110


67762-44-1












salts; 8052-48-0



61790-79-2






68424-38-4


Dodecanoic acid, potassium salt;

10124-65-9






67701-09-1




68002-80-2



61789-30-8





no data located -


111


no data located -


salts;68604-80-8

no data located -

Fatty acids, C12-18, potassium salt;

91032-02-9

no data located -



no data located 2.22E-08(Neutral Organics)(1)


01-7



542-42-7

no data located 8.27E-07(Neutral Organics)(1)

Supporting substances Aluminum



no data located -


2437-23-2

no data located 274 (Aliphatic amines-acid)(1)



Supporting substances 9,10-Dihydroxy-octadecanoic acid, ammonium salt; 84753-04-8

no data located -


Aquatic plants

Single component


No data located.


No data located.

Alkyl ranges and sourced based


Fatty acids, C14-22 (CAS No 68424-37-3): In a study conducted according to DIN 38412/9, Desmodesmus subspicatus were exposed to the test substance for 96 hours 0, 1, 10, 100 mg/ L (nominal) (Henkel KGaA, 1993c). Further details were not located. The EC0 was 100 mg/L.

Fatty acids, C14-18 and C16-18-unsaturated (CAS No 67701-06-8): In a study conducted according to DIN 38412/9, Desmodesmus subspicatus were exposed to the test substance for 96


112

hours 0, 1, 10, 100 mg/ L (nominal) (Henkel KGaA, 1993a). Evidence of undissolved material (e.g. precipitate, surface film) was observed. At 100 mg/L, precipitation and turbidity was observed. Further details were not located. The EC50 was 51 mg/L.


No data located.

Dicarboxylic acids


Decanedioic acid (CAS No 111-20-6): In an OECD Guideline 201 (Alga, Growth Inhibition Test) Desmodesmus subspicatus were exposed to the test substance for 74 hours at a single nominal concentration of 10 mg/L (highest concentration tested based on limited water solubility; Union Camp, 1993c). The NOEC was >=10 mg/L and the 72 hour EbC50 and 24 hour ErC50 were >10 mg/L.


Hexanedioic acid (CAS No 124-04-9): In a study conducted according to Algentest in Anlehnung an UBA (algae test following UBA), Scenedesmus subspicatus were exposed to the test substance for 96 hours (BASF, 1988b). Further details were not located. The 96 hour EC50 was = 26.6 mg/L.

Octadecanedioic acid (CAS No 871-70-5): In a study conducted according to OECD 201, Desmodesmus subspicatus were exposed to the test substance (prepared as a WAF) for 96 hours at nominal concentrations of 0, 1, 3, 10, 30, or 100 mg/L (Henkel KGaA, 2000d). Measured concentrations were 0, <LOQ, <LOQ, 0.14, and 0.19 mg/L for 0, 1, 3, 20, 30 or 100 mg/L, respectively. The EbC50 (72-hr) and ErC50 (72-hr) were > 100 mg /L (WAF; 0.14-0.19 mg/L).

Dodecanedioic acid (CAS No 693-23-2): In a study conducted according to Algentest in Anlehnung an UBA (algae test following UBA), Desmodesmus subspicatus were exposed to the test substance for 72 hours (OECD/SIDS, 1994). Further details were not located. The 96 hour EC0 was >= 5.8 mg/L (highest concentration tested).



Fatty acids, C14-22 (CAS No 68424-37-3): In a study conducted according to DIN38412/9, Desmodesmus subspicatus were exposed to the test substance for 96 hours at nominal concentrations of 1, 10 and 100 mg/L (Henkel KGaA, 1993c). The 96 hour EC0 was >100 mg/L.

Fatty acids, C14-18 and C16-18-unsaturated (CAS No 67701-06-8): In a study conducted according to DIN38412/9, Desmodesmus subspicatus were exposed to the test substance for 96 hours at nominal concentrations of 1, 10 and 100 mg/L (Henkel KGaA, 1993a). Evidence of undissolved material (e.g. precipitate, surface film, etc): At 100 mg/L, precipitation and turbidity was seen. The 96 hour EC50 was 51 mg/L.


No data located.



Fatty acids, C12-18, sodium salts (CAS No 91032-12-1): In a study conducted according to DIN38412/9, Desmodesmus subspicatus were exposed to the test substance for 72 hours at nominal


113

concentrations of 8.8, 26.4, and 88 mg/L (Henkel KGaA, 1995). The 72 hour EbC50 was 25 mg/L and the ErC50 was 41 mg/L.


No data located.



No data located.


No data located.

Ammonium salts


No data located.


No data located.

Table 19. Summary of Aquatic Effects (Aquatic plants)

CAS No Species/Test method LC50 (mg/L), 96 hr Reference Estimated values (ECOSAR 1.0;

Aliphatic amines) (96 hr, mg/L)

Single component Octanoic acid;

124-07-2 no data located 66.9 (Neutral

Organics-acid) Nonanoic acid;


Organics-acid) Decanoic acid;


Organics-acid) Dodecanoic acid; 143-07-7













106-14-9



9



114


29-4



1


9,12-Octadecadienoic

acid; 60-33-3








acid, (Z,Z,Z); 463-40-1





no data located -


120-87-6

no data located -


no data located -



no data located -



Fatty acids, C6-10; 68937-74-6


Fatty acids, C6-12; 67762-36-1

no data located 5.5 (Neutral Organics-acid)(1) (C12) -223 (Neutral Organics-acid) (C6) -5.5 (Neutral Organics-acid)(1)

Fatty acids, C8-10; 68937-75-7


Fatty acids, C14-18; 67701-02-4

no data located 0.110 (Neutral Organics-acid) (C18) -

1.5 (Neutral Organics-acid)(1) (C14)

Fatty acids, C16-18; 67701-03-5


(C16) Fatty acids, C16-20; 68937-76-8

no data located 0.029 (C20) (Neutral Organics-acid)(1) -0.409 (Neutral Organics-acid)(1)

(C16)


115

Fatty acids, C18-22; 90990-11-7

no data located 0.008 (C22) (Neutral Organics-acid) - 0.110 (Neutral Organics-acid) (C18)

Fatty acids, C14-22; 68424-37-3

Desmodesmus subspicatus/ DIN 38412/9

>100 (nominal) Henkel KGaA, 1993c 0.008 (C22) (Neutral Organics-acid) -1.5 (Neutral Organics-acid)(1) (C14)

Fatty acids, C10-16; 68002-90-4


(C16) -19.4 (Neutral Organics-acid) (C10)

Fatty acids, C12-14; 90990-10-6

no data located 1.5 (Neutral Organics-acid)(1) (C14) - 5.5 (Neutral Organics-acid)(1) (C12)

Fatty acids, C8-18; 90990-08-2


Fatty acids, C12-18; 67701-01-3

no data located 0.110 (Neutral Organics-acid) (C18) - 5.5 (Neutral Organics-acid)(1) (C12)












no data located 0.029 (C20) (Neutral Organics-acid)(1) - 5.5 (Neutral Organics-acid)(1) (C12)








51 (nominal; 96 hr) Henkel KGaA, 1993a 0.110 (Neutral Organics-acid) (C18) -




(C16) Fatty acids, C16

and C18-unsaturated; 67701-07-9


(C16) Fatty acids,

vegetable-oil, unsaturated; 68648-24-8



2




116








oil; 61789-45-5






Fatty acids, coco, heavy fractions; 68937-85-9(6)

no data located 5.5 (Neutral Organics-acid)(1) (C12) -66.9 (Neutral Organics-acid) (C8)


68938-15-8






no data located -




no data located -

Dicarboxylic acids


72-4





Desmodesmus subspicatus/OECD 203

NOEC >=10; EbC50>10; 24 hour ErC50 >10 (nominal)

Union Camp, 1993c 316.1 (Neutral Organics-acid)





no data located -


no data located -


Desmodesmus subspicatus / Algentest in Anlehnung an

UBA

26.6 (96 hr; nominal/measured not

specified)

BASF, 1988b -


Desmodesmus subspicatus/OECD 203

EbC50 and ErC50 > 100 (nominal); WAF = 0.14-0.19

(measured)

Henkel, 2000d -


Desmodesmus subspicatus / Algentest in Anlehnung an

UBA

EC0 >=5.8 (nominal; highest concentration tested)

OECD/SIDS, 1994 -


117













62-6



25-4



822-12-8



408-35-5



822-16-2



67762-44-1

no data located 5.5 (Neutral Organics-acid)(1) (C12) -223 (Neutral Organics-acid) (C6) -5.5 (Neutral Organics-acid)(1)



EbC50 = 25; ErC50 = 41 (nominal)

Henkel KGaA, 1995 0.110 (Neutral Organics-acid) (C18) - 5.5 (Neutral Organics-acid)(1) (C12)










salts; 8052-48-0




61790-79-2




unsaturated,



118

sodium salts; 67701-10-4


68424-38-4


(C16) Dodecanoic acid, potassium salt;

10124-65-9






67701-09-1




68002-80-2




61789-30-8





no data located -


no data located -


salts;68604-80-8

no data located -

Fatty acids, C12-18, potassium salt;

91032-02-9

no data located -





01-7




542-42-7


Supporting substances Aluminum



no data located -


2437-23-2

no data located 68 (Aliphatic amines-acid)


119


no data located 0.74 (Neutral Organics)(1)

Supporting substances 9,10-Dihydroxy-octadecanoic acid, ammonium salt; 84753-04-8

no data located -


Conclusion

There were no acute effects of the sponsored or supporting aliphatic acids on fish, aquatic invertebrates or algae with LC50 values exceeding either the water solubility of the substance or were greater than 100 mg/L. Two exceptions included sponsored substance, Fatty acids, C12-18, sodium salts (CAS 91032-12-1) and supporting substance, Hexadecanoic acid (CAS No 124-04-9), with algae EC50 values between 1 and 100 mg/L. No acute aquatic toxicity data were located for magnesium and calcium or ammonium aliphatic acid substances.

Toxicity to Microorganisms

Single component


Tetradecanoic acid (CAS No 544-63-8): In a Live Bacteria Oxygen Consumption Inhibition Test (German Industrial Standard DIN 38412 Part 27), the 30 minute EC0 for Pseudomonas putida was >= 10, 000 mg/L (Henkel KGaA, 1994b).

Hexadecanoic acid (CAS No 57-10-3): In a Live Bacteria Oxygen Consumption Inhibition Test (German Industrial Standard DIN 38412 Part 27), the 30 minute EC0 for Pseudomonas putida was >= 10, 000 mg/L (Henkel KGaA, 1994c).



Fatty acids, tallow (CAS No 61790-37-2): In a Microbial Toxicity test (ASTM Methods for the Assessment of Water Quality, Microbiological Inhibition Testing Procedure (221-226)), No microbial inhibition was observed up to 600 mg/L (Roy F. Weston, 1978). No further details were reported.

Fatty acids, C14-18 and C16-18-unsaturated (CAS No 67701-06-8): In a Live Bacteria Oxygen Consumption Inhibition Test (German Industrial Standard DIN 38412 Part 27), the 30 minute EC0 for Pseudomonas putida was >= 10, 000 mg/L (Henkel KGaA, 1993b). The EC0 was = 10,000 mg/L when the samples were not treated with ultrasound. An EC10 could not be calculated for the samples not treated with ultrasound because the inhibition of oxygen consumption did not exceed 10% at any concentration tested. When the samples were treated with ultrasound for 15 minutes, the EC0 was 3000 mg/L and the EC10 was 10,000 mg/L.

Fatty acids, C16-18 and C18-unsaturated (CAS No 67701-08-0): In a Live Bacteria Oxygen Consumption Inhibition Test (German Industrial Standard DIN 38412 Part 27), the 30 minute EC0 for Pseudomonas putida was = 10, 000 mg/L (Henkel KGaA, 1994d).

Dicarboxylic acids



120

No data located.



No data located.



No data located.



No data located.

Amonium salts


No data located.

The Aliphatic Acids category members possess properties indicating a hazard for the environment (acute toxicity to aquatic organisms between 1-100 mg/L for C6, and C12-18 sodium salts). Aliphatic Acids category members are readily biodegradable and are not expected to bioaccumulate. Adequate screening-level data are available to characterize the hazard for the environment for the purposes of the OECD Cooperative Chemicals Assessment Programme.


121

5 REFERENCES

APAG (2009) Production of fatty acids and glycerine ing from vegetable and animal oils and fats. European Oleochemicals and Allied Products Group. http://www.apag.org/oleo/index.htm. Accessed April 4, 2009.

Baccanaari et al. (1968) Syracuse Research Corporation and Office of Pollution Prevention and Toxics, US Environmental Protection Agency. 2011. The Estimation Programs Interface (EPI) Suite v4.10 Report date 2012-06-25.

BASF AG (1988a) [124-04-9] Internal Report: Determination of the acute toxicity of adipic acid to Daphnia magna Straus. Report No. 1/1136/2/87. (Cited in IUCLID. 2000. IUCLID Data Sheet “Adipic acid”. February 18).

BASF AG (1988b) [124-04-9] Unpublished Investigation of 15.1.1988 (1/1136/87/t96). (Cited in IUCLID. 2000. IUCLID Data Sheet “Adipic acid”. February 18).

Biologic Safety Research Inc. (1999) Acute Oral Toxicity Study COMPOUND 3840-91. Kukulinski, M. Study No. 076-006. Report No. C 0100200-7.

Bio-Toxicology Laboratories (1973) Primary Irritation Studies. E-213 Oleic Acid. Bio-Toxicology Laboratories Report no. R 9700923. Report date 1973-04-19.

Birch R.R., Biver C., Campagna R., Gledhill W.E., Paga U., Steber J., Reust H. and Bontinck W.J. (1989) Screening of Chemicals for Anaerobic Biodegradability. Chemosphere 19(10/11):1527-1550. SDA Report No : SADFA154

BKH (1994) Environmental Data Review of Soaps. NVZ in cooperation with European surfactant industry. Delft, The Netherlands. NOTOX Study No. 0834/PA48. RCC NOTOX Report no. NOTOX-0834-PA48.

Bradford, J. C. et al. (1984) Teratology, 29(2):19A.

Brooke, L.T., D.J. Call, D.L. Geiger and C.E. Northcott, Eds. (1984) Acute Toxicities of Organic Chemicals to Fathead Minnows (Pimephales promelas). Volume I. Center for Lake Superior Environmental Studies, University of Wisconsin-Superior. USEPA Environmental Research Laboratory, Duluth, MN. SD Report No. SDAFA158, Report date: 1982-07-28.

Bruschweiler H, Felber H, Schwager F. (1991) Biologischer Abbau (Primär-, Endabbau und Abbauzwischenprodukte (einiger wichtiger anionischer und nichtionischer Tenside. Tenside Surf. Det. 28 (5): 348 – 355. SDA Report No: SDAFA196, Report Date: 2007-10-10.

BSL Bioservice (2002a) In Vitro Mammalian Chromosome Aberration Test in Chinese Hamster V79 Cells with SAT 010632. Study No: 021705. Report No: C 0100200-5. Author: Hamann, U.

http://www.apag.org/oleo/index.htm


122

BSL Bioservice Scientific Laboratories GmbH (2002b) Repeated Dose Toxicity: 28-day Oral Toxicity Study in Rats with SAT 010632. Study No: 021752. Report No: C0100200-12. Author: Albrecht, A.

Budavari et al (eds.). (1996) The Merck Index, 12th Edition, p1214. Merck and Co., In. Whitehouse Station, NJ. Report No: MERCK-001

Busch J.T. (1982) Final Report of the Safety Assessment of Lithium Stearate, Aluminum Distearate, Aluminum Stearate, Aluminum Tristerate, Ammonium Stearate, Calcium Stearate, Magnesium Stearate, Potassium Stearate, Sodium Stearate, and Zinc Stearate. J. Am. Coll. Toxicol. 1(2):143-177. SDA Report No. SDAFA165, 1982-01-01.

Carpenter, C. P. and H. F. Smyth (1946) Am. J. Ophthalmol., 29:1363.

Chattopadhyay et al., (2001) Syracuse Research Corporation and Office of Pollution Prevention and Toxics, US Environmental Protection Agency. 2011. The Estimation Programs Interface (EPI) Suite v4.10 Report date 2012-06-25.

Clive, D. and J. F. S. Spector (1975) Mutat. Res., 31:17-29.

Daubert and Danner (1989, 1991, 1993, 1995) Syracuse Research Corporation and Office of Pollution Prevention and Toxics, US Environmental Protection Agency. 2011. The Estimation Programs Interface (EPI) Suite v4.10 Report date 2012-06-25.

Dieckelmann, G. and Heinz, H.J. (1988) Production of Fatty Acids. In P. Pomp (Ed): The Basics of Industrial Oleochemistry: A Comprehensive Survey of Selected Technologies Based on Natural Oils and Fats. (pp 191). Mulheim (Ruhr)- Saarn: Oleochemical Consulting International.

DuPont Co. (1974) [124-04-9] Unpublished Data, Haskell Laboratory Report No. 334-74.

DuPont Co. (1987) [110-94-1] Unpublished Data, Haskell Laboratory Report No. 261-87.

Dybdahl, H.P. (1993) Determination of log Pow for single components in tall oil heads. GLP Study No. 408335/474. Water Quality Institute, Horshρlm, Denmark.

Eastman Kodak Co. (1981) Unpublished Data, Report #82-0158, Health, Safety, and Human Factors Laboratory, Rochester, NY.

Elder R. (1987) Final Report on the Safety Assessment of Oleic Acid, Lauric Acid, Palmitic Acid, Myristic Acid and Stearic Acid. Journal of the American College of Toxicology 6 (3): 321-401. SDA Report No: SDAFA111.

EPI Suite v4.10 (2012) Syracuse Research Corporation and Office of Pollution Prevention and Toxics, US Environmental Protection Agency. The Estimation Programs Interface (EPI) Suite v4.00.


123

European Centre for Ecotoxicology and Toxicology of Chemicals (ECETC) (1995) Skin Irritation and Corrosion: Reference Chemicals Data Bank. Technical Report No. 66, p. 168.

Feijtel, T.C.J., Struijs, J., and Matthijs, E. (1999) Exposure modelling of detergent surfactants – Prediction of 90th-percentile concentrations in The Netherlands. Environ. Toxicol. Chem. 18:2645-2652.

Gaworski, CL, Kinkead, ER, and Doyle RL (1979) Acute Toxicity of a Number of Chemicals of Interest to the Air Force. Technical Report. Resting Lab: University of California. SDA Report No: SDAFA160.

Gunstone F.D., Harwood J., Padley F.D. (1994) The Lipid Handbook, 2nd ed. Chapman and Hall Publ., NY. Report No: LIPID-001.

Hansch et al. (1995) as cited in EPI SUITE v4.0.

Hawley's Condensed Chemical Dictionary, 13th Ed. (1998).

Hazelton Laboratories (1952) Unpublished Data (August 20).

Henkel KGaA (1981a) [CAS RN 124-07-2] Prufung des Produktes Edenor C8 98/100 auf akute orale Toxizitat. Report No: HENK-TBD-810356, Report Date: 1981-12-10. Author: Kaestner

Henkel KGaA (1981b) [CAS RN 143-07-7] Pruefung des Produktes Edenor C 12 98/100 auf akute orale Toxizitaet. Testing Lab: Cognis Deutschland GmbH. Report No: HENK-TBD-810365, Report Date: 1981-11-27. Author: Gloxhuber, Kastner.

Henkel KGaA (1981c) [CAS RN 57-10-3] Prüfung des Produktes Edenor C 16 98-100 auf akute orale Toxizität. Report No: HENK-TBD-810363, Report Date: 1981-01-01.

Henkel KGaA (1981d) [CAS RN 67701-06-8] Pruefung des Produktes Edenor Ti auf akute orale Toxizitaet. Report No: HENK-TBD-810361, Report Date: 1981-02-12. Author: Gloxhuber.

Henkel KGaA (1981e) [CAS RN 67701-08-0] Acute Oral Toxicity of Edenor Sj. Report No: HENK-TBD-810360, Report Date: 1982-12-02 . Author: Gloxhuber.

Henkel KGaA (1981f) [CAS No. 57-11-4] Pruefung des Produktes Edenor C18 98/100 auf akute oral Toxizitaet. Report No: HENK-TBD-810354.

Henkel KGaA (1981g) Prüfung des Produktes Edenor C 22 R auf akute orale Toxizität. CAS RN 90990-11-7 Henkel KGaA. Report no. HENK-TBD-810355. Report date 1981-12-10.


124

Henkel KGaA (1981h) [CAS RN 112-86-7] Prüfung des Produktes Edenor U 122 auf akute orale Toxizität. Report No: HENK-TBD-810362.

Henkel KGaA (1981i) [CAS RN 124-07-2] 98/100% Testing for Mutagenic Activity in the Ames-Test. Report No: HENK-TBD810091. [Mutation Research 31. 347-364 (1975)]

Henkel KgaA (1981j) Hexadecanoic acid: Fish, Acute Toxicity. Henkel KgaA Report no. HENK-R-0100699, Report date: 1981-01-01.

Henkel KGaA (1982) Fatty Acids, C16-18 and C18-unsatd.: Fish, Acute Toxicity Henkel KGaA Report no. HENK-R-0100707. Cognis Deutschland GmbH. Report date 2001-08-13.

Henkel KGaA (1983a) [CAS RN 70321-72-1] 28-Tage-Test mit Antischaummiteel Sj/Sb nach widerholter oraler Varabreichung an Ratten. Report No: R-9501060. Report date: 1983-05-01.

Henkel KGaA (1983b) Fish Acute Toxicity (Fatty Acids C16-18). Report no: HENK-R-0100705, Report date: 2001-08-16, report date: 2001-07-31. Author: Muelberg B.

Henkel KGaA (1987) [CAS RN 67701-02-4] Acute Oral Toxicity in the Rat: VP Loxanol 3009 (in German). Report No: HENK-870305, Report Date: 1987-06-1. Author: Potokar.

Henkel KGaA (1988a) Fatty Acids, C14-22 (CAS RN 68424-27-3): Ultimate Biodegradability in the Two Phase Closed Bottle Test. Henkel KGaA Report no. HENK-R-0100762, Report Date: 2001-08-07. Author: Richterich K.

Henkel KGaA (1988b) [CAS RN 70321-72-1] Pruefung der akuten Toxizitaet (Limit-Test) nach einmaliger oraler Applikation an Ratten. Report No: 880154, Report Date: 1988-03-09.

Henkel KGaA (1988c) CAS RN 70321-72-1] Prüfung auf Mutagenität im Ames-Test. Report No: HENK-880076.

Henkel KGaA (1988d) CAS RN 70321-72-1] Prüfung Polyresidal N – Primary Skin Irritation (in German). Report No: HENK-880131. Author: Kästner.

Henkel KGaA (1988e) CAS RN 70321-72-1] Polyresidal F – Primary Skin Irritation. Report No: HENK-880132. Author: Kästner.

Henkel KGaA (1988f) CAS RN 70321-72-1] Comparative Examination on Skin Compatibility of 16 Raw Materials in the Closed Epicutaneous Test in Humans. Report No: HENK-880716. Author: Matthies.

Henkel KGaA (1988g) Skin compatibility of Lorol Techn., Edenor C12, Edenor Ti Dest., Magnesiumsilicate, Edenol ME Palm, and Edenol B 35 in Burckhardt open epicutaneous test in Humans. Author: Matthies.


125

Henkel KGaA (1988h) CAS RN 70321-72-1] Polyresidal F (FS 017) Primary Eye Irritation on Rabbit. (in German). Report No: 880223. Author: Kästner.

Henkel KGaA (1988i) CAS RN 70321-72-1] Polyresidal F (FS 016) Primary Eye Irritation on Rabbit. (in German). Report No: 880224. Author: Kästner.

Henkel KGaA (1988j) Edenor C12 – 98/100 – Primary Skin Irritation. Henkel Institute for Toxicology. Report no. 880131 (in German). Author: Kästner.

Henkel KGaA (1988k) Edenor C12 98/100 – Primary Test of Mucous Membranes - Eye Irritation in Rabbits. Henkel Institute for Toxicology. Report No. 880368. Company study number 880144. Author: Kästner.

Henkel KGaA (1988l) Edenor C16 – Primary Skin Irritation. Henkel Institute for Toxicology Lab Study No. 880044. Report No. 880130. Lab Study No. 880044. Author: Kästner.

Henkel KGaA (1988m) Edenor C16 – 92/94 (FS 008) - Primary Eye Irritation on Rabbit. Henkel Institute for Toxicology Lab Study No. 880225. Author: Kästner.

Henkel KGaA (1990) [CAS RN 84753-04-8] Acute Oral Toxicity of [CAS RN 84753-04-8] 50%. Report no. HENK-TBD-900783, Report Date: 1990-12-20.

Henkel KGaA (1991a) Edenor C 6 98/100 Salmonella/Mammalian-Microsome Mutagenicity Test (Ames Test). Report No: TBD-910330.

Henkel KgaA (1991b) [CAS RN 84753-04-8] DHW 80 (50%). Salmonella/Mammalian-Microsome Mutegencitiy Test (Ames Test). Report No: HENK-TBD900721. Author: Banduhn, N

Henkel KgaA (1992a) [CAS RN 57-10-3] Anaerobe Abbaubarkeit im ECETOC-Test; Abschlussbericht. Report No: HENK-RE-920143, Report Date: 1992-07-24. Bibliographic source: Birch et al. (1989). Description of anaerobic biodegradation test method in Chemosphere 19: 1527-1550.

Henkel KGaA (1993a) Algen-Zellvermehrungshemmstest Abschlussberict. Report no: HENKE-RE-930020, Report date: 1993-03-11. Author: Wierich P.

Henkel KGaA. (1993b) [67701-06-8] Oxygen Inhibition of Live Bacteria, Conclusive Report. Report no: HENK-R-930050. Author: Kirch, A.

Henkel KgaA (1993c) [CAS RN 68424-37-3] Acute Toxicity to Algae. Henkel KGaA Report no. HENK-RE-930019, Report date: 1993-04-03.

Henkel KgaA (1994a) [CASRN 57-10-3] BODIS-Test; Abschlussbericht. Henkel KGaA Report no. HENK-R-9400080, 1994-02-02.


126

Henkel KGaA (1994b) Oxygen Consumption Inhibition of Live Bacteria, Conclusive Report – Edenor C14 92/94. Report no: HENK-R-9400030. Author: Kirch, A.

Henkel KGaA, Research Biology (1994c) Oxygen Consumption Inhibition of Live Bacteria, Conclusive Report – Edenor C16 98/100. Report no: HENK- R-9400113. Author: Kirch, A.

Henkel KGaA, Research Biology (1994d) Oxygen Consumption Inhibition of Live Bacteria, Conclusive Report – Edenor Sj. Report no: HENK-R- 9400112. Author: Kirch, A.

Henkel KGaA (1995) Edenor-K-12-18-Na-Salts Acute Toxicity to Bacteria. Report no. HENK-R-9400270 Author: Rieche HW.

Henkel KgaA (1996) [CASRN 67701-06-8] Edenor Ti 05 Geschlossener Flaschentest/EG-RILI; Abschulssbericht. Henkel KGaA Report no. HENK-R-9600073, 1996-01-25.

Henkel KgaA (1997a) 9,10-Dihydroxystearinsäure, techn. Akute Fischtoxizität Abschluβbericht. Henkel KGaA Report no. HENK-R-9700638, Report date: 1997-01-22.

Henkel KGaA (1999) [CAS RN 95912-82-6]: Akute Daphnientoxizitat, Abschlussbericht. Report no: HENK-R-9900424, Report date: 1999-04-19. Author: Ozkabakcioglu Y.

Henkel KgaA (2000a) BODIS-Test (ISO 10708); [CAS RN 60-33-3] Linoleic Acid. Henkel KGaA Report no. HENK-R-0000210.

Henkel KgaA (2000b) Daphnia, akut, statisch (OECD 202/I); [CASR RN 60-33-3] Linoleic Acid. Report no: HENK-R-0000238.

Henkel KgaA (2000c) Fish, Acute Toxicity – 1,18-Octadecanedioic acid. Henkel KGaA. Lab. Study No. 0004185 2, Report no: HENK-R-0001189. Author: Wierch, P.

Henkel KGaA (2000d) Algae Inhibition Test – 1,18-Octadecanedioic Acid. Report no: HENK- R 0001190. Author: Werner, U.

Henkel KGaA (2001a) Fatty acids, C8-18 and C18-unsaturated, distillation residues: Ultimate biodegradability in the Two Phase Closed Bottle Test. Henkel KGaA Report no. HENK-R-0100764, Report Date: 2001-03-07.

Henkel KGaA (2001b) Nonanoic acid (Emery 1202), Ultimate biodegradability in the Two Phase Closed Bottle Test. Henkel KGaA Report no. HENK-R-0100758.

Henkel KGaA (2001c) Azelaic Acid (CASRN 123-99-9): Ultimate Biodegradability in the Two Phase Closed Bottle Test. Henkel KGaA Report no. HENK-R-0100759, Report Date: 2001-08-06.


127

Henkel KGaA (2001d) Azelain acid (Azelainsaure), Ultimate Biodegradability in the Modified OECD Screening Study. Henkel KGaA Report no. HENK-R-0100776, Report Date: 2001-08-14.

Henkel KGaA (2001e) 1,8-Octanedicarboxylic acid (Sebacinsaeure): Ultimate Biodegrability In the Closed Bottle Test. Henkel KGaA Report no. HENK- R-0100789.

Henkel KGaA (2001f) Ultimate biodegradability in the Closed Bottle Test. Henkel KGaA Report no. HENK-R-0100793, Report Date: 2001-08-23. Author: Richterich K.

Henkel KGaA (2001g) 13-Cis-Docoseoic Acid, Ultimate Biodegradability in the Closed Bottle Test. Henkel KGaA Report no. HENK- R-0100787, Report Date: 2001-08-23.

Henkel KGaA (2001h) Fatty Acids, C8-18 and C18-unsaturated, distillation residues. Fish, Acute Toxicity. Henkel KGaA Report no. HENK-R-0100711, Report date: 2001-08-15.

Henkel KGaA (2001i) Fatty Acids C6-12: Fish, Acute Toxicity. Report no. HENK-R-0100708, Report date: 2001-08-10. Author: Richterich, KR.

Henkel KGaA (2001j) Decanedioic Acid: Fish, Acute Toxicity. Henkel KGaA, Department of Toxicology Report no. HENK-R-0100715.

Henkel KGaA (2001k) Dodecanoic Acid, Fish, Acute Toxicity. Report no: HENK-R-0100701, Report date: 2001-08-16.

Henkel KGaA (2001l) Tetradecanoic Acid; Fish, Acute Toxicity. Henkel KGaA, VTB-Ecology Report no. HENK-R-0100703, Report date: 2007-08-01.

Henkel KGaA (2001m) Fatty Acids, C14-18 and C16-18 Unsaturated: Fish, Acute Toxicity Report no. HENK-R-0100706, Report date: 2001-08-01.

Henkel KGaA (2001n) Nonanedioic acid. Fish, Acute Toxicity. HENK-R-0100716 Cognis Deutschland GmbH. 2001-07-30.

Henkel KGaA (2001o) Fatty Acids, C16-18 and C18-unsaturated: Fish, Acute Toxicity. Henkel KGaA Report no. HENK-R-0100709, Report date: 2001-08-13.

Henkel KGaA (2001p) Fatty Acids, C18-22: Fish, Acute Toxicity. Henkel KGaA Report no. HENK-R-0100710, Report date: 2001-08-13.

Henkel KGaA (2001q) Octadecanoic acid. Fish, Acute Toxicity. Final report. Report no. HENK-R-0100700. Author: Richterich, KR. and Muhlberg, B.


128

Henkel KGaA (2001r) Daphnia magna, Acute Toxicity – 1,18-Octadecanedioic Acid. Report no: HENK- R-0100022. Author: Oezkabakcioglu, Y.

Henkel KGaA (2001s) Fatty Acids, C16-18 and C18-unsaturated, sodium salts: Fish, Acute Toxicity. Henkel KGaA Report no. HENK-R-0100713, Report date: 2001-08-09.

HERA (2002) Fatty Acid Salts (Soap). Human Health Risk Assessment. Draft for Public Comment. HERA Project: Human and Environmental Risk Assessment on ingredients of European household cleaning products. June 2002. Available at: http://www.heraproject.com/files/5-HH-04-HERA%20Fatty%20acid%20salts%20HH%20web%20wd.pdf.

HERA (2003) Fatty Acid Salts (Soap). Environmental Risk Assessment. Draft. HERA Project: Human and Environmental Risk Assessment on ingredients of European household cleaning products. September 2003. Available at: http://www.heraproject.com/files/5-E-04-%20HERA%20Fatty%20acid%20salts%20Env%20web%20wd.pdf.

Hercules (1969) Ninety-Day Subacute Oral Toxicity of Oleic Acid in Albino Rats. Study No: 69-01. Report No: HERC-B7067. Report Date: 1969-08-11. Author: Calandra.

Horn, H. J. et al. (1957) [124-04-9] J. Agric. Food Chem., 5(10):759-762.

Hoyer, M. (1990) DHW 80 50% – Acute Dermal Irritation. Department of Toxicology, Henkel KGaA. Henkel KGaA Report no. TBD9000703 Cognis Deutschland GmbH HTX900433.

Hoyer M (1997) SAT 970 396 - Acute Eye Irritation/Corrosion Study in the Rabbit. Scantox Germany. Report no. R 9700923. Company study No 01397.

International Bio-Research (IBR-US, Inc.) (1974a) Acute Toxicity and Irritation Studies. International Bio-Research Study 73-654-21. Report Date: 1974-01-23. SDA Report No: SDAFA109.

International Bio-Research (IBR-US, Inc.) (1974b) Acute oral toxicity. International Bio-Research Study. Report Date: 1974-01-01. SDA Report No: SDAFA109.

International Bio-Research (IBR-US, Inc.) (1974c) Acute Toxicity and Irritation Studies – Capric Acid 1922-62. International Bio-Research Study 73-654-21. Report Date: 1974-01-23. SDA Report No: SDAFA109.

International Bio-Research (IBR-US, Inc.) (1974d) Acute Toxicity and Irritation Studies. Stearic Acid 1922-67. International Bio-Research Study 73-654-21. Report date 1974-01-23.

International Bio-Research (IBR-US, Inc.) (1974e) Acute Toxicity and Irritation Studies – Caprylic Acid 1922-62. International Bio-Research Study 73-654-21. SDA Report No: SDAFA109.

http://www.heraproject.com/files/5-HH-04-HERA%20Fatty%20acid%20salts%20HH%20web%20wd.pdf


http://www.heraproject.com/files/5-E-04-%20HERA%20Fatty%20acid%20salts%20Env%20web%20wd.pdf



129

International Bio-Research (IBR-US, Inc.) (1974f) Acute Toxicity and Irritation Studies. Lauric Acid 1922-64. International Bio-Research Study 73-654-21 Report no. SDAFA109. Company study no. 73-654-21. Report date 1974-01-23.

International Bio-Research (IBR-US, Inc.) (1974g) Acute Toxicity and Irritation Studies. Palmitic Acid 1922-66. International Bio-Research Study 73-654-21. Report date 1974-01-23.

Industrial Bio-Test Laboratories, Inc. (1969) Ninety-day subacute oral toxicity of [trade name deleted; tall oil fatty acid] in albino rats. IBT No. B7067, Northbrook, Illinois. Author: Fancher, O.E.

Ishidate, M., Jr. et al. (1984) Food Chem. Toxicol., 22(8):623-636.

Japan Chem. Ind. Ecol. Toxicol. and Inform. Center (JETOC) (2000) JETOC 06-2000 (LIT 13085). SDA Report No: SDAFA198. Report Date: 2000-01-01.

Käestner (1988a) Primary Skin Irritation. Institute for Toxicology - Edenor Ti Dest. (in German). Institute for Toxicology. Report no. 880143.

Käestner (1988b) Edenor Ti Dest.- Primary Eye Irritation on Rabbit. (in German) Institute for Toxicology. Report no. 880229.

Khan I and Brimblecombe P (1992) J Aerosol Sci 23(Suppl. 1): S897-S900 (1992) [As cited in HSDB].

Kastner (1984) Caproic Acid - Examination of Acute Skin Irritation in Rabbits. ZR/FE/Toxikologie. Report no. 840485.

Kukulinski, M. (1999) Primary Dermal Irritation Study - Compound 3840-91. Biological Safety Research, Inc. Report no. C 0100200-8. TM STUDY 076-005.

Kukulinski, M, and Locke, R.F. (1999) 3840-91 – Primary Eye Irritation Study. Biologic Safety Research, Inc Report no. C 0100200-9 TM STUDY 076-004.

Lehninger, A.L. (1970) Biochemistry. Worth Publishers, Inc., New York.

Lide, D. (ed.) (1994) CRC Handbook of Chemistry and Physics, 75th ed, p3-189. CRC Press, Inc., Boca Raton.

Maekawa, A. et al. (1990) Food Chem. Toxicol., 28(4):235-241.

Matthijs, E., Holt, M.S., Kiewist, A.. and Rijs, G.B. (1999) Environmental monitoring for LAS, AE, AES, AS, and soap. Environ. Toxicol. Chem. 18:2634-2644.


130

Mattson, V. R. et al. (1976) Ecol. Res. Ser. EPA-600/3-76097, Environ. Res. Lab., U. S. EPA, Duluth, MN.

Microbiological Associates (1993a) Salmonella/Mammalian Microsome (Ames Test) and Escherichia Coli WP2 Mutagensis Assay. The Proctor and Gamble Company, Study no: PandG WTDS Acc. # 37767, Report no: TD114-508.

Microbiological Associates (1993b) Test for Chemical Induction of Mutation in Mammalian Cells in Culture – The L5178Y TK+/- Mouse Lymphoma Assay. The Proctor and Gamble Company, Study no: PandG WTDS Acc. # 37783, Report no: TD114.708.

Microbiological Associates (1994) In Vitro Cytogenetics Assay – Chinese Hamster Ovary (CHO) Cells. The Proctor and Gamble Company, Study no: PandG WTDS Acc. # 37850, Report no: TD114.338.

Mortelmans K, Haworth S, Lawlor T, Speck W, Tainer B, Zeiger E. (1986) Salmonella mutagenicity tests II. Results from the testing of 270 chemicals. Environ. Mutag. 8 (7): 1-119. SDA Report No: SDAFA200.

Nakamura H. and Yamamoto T. (1983) The Active Part of the [6]-Gingerol Molecule in Mutagenesis. Mutation Research, 122: 87-94. SDA Report No: SDAFA170

Navrade (1982) Edenor C 20-22 RA. Project 75.150. Report no. SDAFA151. Report date 1982-01-09.

Nelson, D.L. and Cox, M.M. (2008) Lehninger Principles of Biochemistry, Fifth Edition. W. H. Freeman, New York.

Noller, C.R. (1966) Textbook of Organic Chemistry. W.B. Saunders Company, p. 190.

NOTOX (1996) Evaluation of Mutagenic Activity of Prisorine 3505 in the Salmonella typhimurium reverse mutation assay (with independent repeat). Report No: NOTOX-168018. Author: Van de Waart, E. J.

OECD/SIDS (1994) IRPTC Data Profile for Dodecanedioic Acid. SDA Report No: SDAFA106. Owner: Cites Huls AG, Report No: 88/69.

Onitsuka S., Kasai Y., Yoshimura K. (1989) Quantitative Structure - Toxic Activity Relationship of Fatty Acids and the Sodium Salts to Aquatic Organisms. Chemosphere. 18(7-8):1621-1631. SDA Report No. SDAFA184

Perry's Chemical Engineering Handbook (1984) 6th Edition. Ed. Robert H. Perry and Don Green. McGraw-Hill Inc. New York.


131

Pharmacopathics Research Laboratories, Inc. (1975) [61790-12-3] Sub-acute reproduction in the rat on tall oil fatty acid [trade name deleted]. Report No. 75-106. Laurel, Maryland. Author: Tegeris, A.S.

Pharmacopathics Research Laboratories, Inc. (1977) [61790-12-3] Tall oil fatty acid: two-generation reproduction study in the rat. Report No. 77-124. Laurel, Maryland. Author: Tegeris, A.S. Pharmakon Research International, Inc. (1983a) Acute oral toxicity study in rats: fatty acid [61790-12-3]. Study No. PH 402-AC-009-83, Waverly, Pennsylvania. Author: Mallory, V.T.

Pharmakon Research International, Inc. (1983b) Ames Salmonella/microsome plate test: fatty acid [ 61790-12-3]. Study No. PH 301D-AC-018-83. Waverly, Pennsylvania. Author: Godek, E.G.

Pitterman, W. (1992) Edenor U 122 (FS205) – Acute Dermal Irritation on Rabbit. TFB Toxicology Report no. RT 920277. Company study number PT 920102.

Potokar (1982) [111-20-6] P3 raw material, acute toxicity project, partial report (translated). Project no: 75.150 , Report no: SDAFA157, Report date: 1982-02-12.

Prival, M. J. et al. (1991) Mutat. Res., 260:321-329.

Proserpio G (1974) Isocosmetics with Isostearics. Cosmetics and Perfumery 89(7): 45-4. Report no. SDAFA171

Randall, T. L. and P. V. Knopp (1980) Journal Water Pollution Control Federation, 52(8):2117-2130.

RCC Cytotest Cell Research GMBH. (2001) Salmonella Typhimurium Reverse Mutation Assay with SAT 010632. Study No: 707900. Report No: C 0100200-4. Author: Wollny, H.-E.

RCC NOTOX. (1988a) Acute Oral Toxicity of PRIFRAC 2901 in the Rat. Report no: NOTOX-0832-1057, Report date: 1988-03-23. Author: Reijnders, J.B.J.

RCC NOTOX (1988b) Acute Oral Toxicity of PRISORINE 3505 in the Rat. Report no: NOTOX-0834-1059. Author: Reijnders, J.B.J.

RCC NOTOX (1988c) Acute Oral Toxicity of Priolene 6900 in the Rat. Report no: NOTOX-0837-1062, Report date: 1988-03-17. Author: Reijnders, J.B.J.

RCC NOTOX (1988d) Acute Toxicity Study with Cyprinus Carpio Exposed to (CAS # 124-07-2). RCC NOTOX Report no: NOTOX-0832-PA46, Report date: 1988-08-29. Author: Bogers, M.

RCC NOTOX (1988e) Acute Toxicity Study with Cyprinus Carpio Exposed to (CAS # 30399-84-9). RCC NOTOX Report no: NOTOX-0834-PA48. Author: Bogers, M.


132

RCC NOTOX (1989a) Assessment of the Ready Biodegradability of (Prifac 7920) in the Modified Sturm Test. Report no: NOTOX-003004, Report date: 1989-01-01. Author: Bogers, M.

RCC NOTOX (1989b) Assessment of the Ready Biodegradability of (CASRN 57-11-4) in the modified Sturm Test. Report no: NOTOX-003083, Report date: 1989-09-08. Author: Bogers, M.

RCC NOTOX (1989c) 48-Hour Acute Toxicity in the Carp. RCC NOTOX Project 1307/PA 101 (002993). RCC NOTOX Report no. NOTOX-002993. Author: Bogers, M.

RCC NOTOX (1989d) 48-Hour Acute Toxicity in the Carp. RCC NOTOX Project 1305/PA-99 (003072). Report no. NOTOX-003072, Report date: 1989-10-31. Author: Bogers, M.

RCC NOTOX (1989e) Acute Toxicity Study with Cyprinus Carpio Exposed to (CAS # 30399-84-9). RCC NOTOX Project 0834/PA48. Report no. NOTOX-0834-PA48. Author: Bogers, M.

RCC NOTOX (1990) Ready Biodegradability: Modified Sturm Test with (CAS # 30399-84-9). Report No: NOTOX-005186, Report Date: 1990-07-31. Author: Coenen.

RCC NOTOX (1991a) Ready Biodegradability: Modified Strum Test with (CAS #124-07-2). Report No: NOTOX-052605, Report Date: 1991-08-08. Author: Coenen.

RCC NOTOX (1991b) Ready Biodegradability: Modified Sturm Test with Priolene 6900. Report No: NOTOX-052649, Report Date: 1991-08-08. Author: Coenen.

Research Technology Centre (2001) SAT 010632 – Preliminary Oral Toxicity Study in Rats. Study no: 9219EXT. Report No: 9219EXT/T/160/2002. Author: Longobardi, P.

Riddick et al. (1986) Syracuse Research Corporation and Office of Pollution Prevention and Toxics, US Environmental Protection Agency. 2011. The Estimation Programs Interface (EPI) Suite v4.10 Report date 2012-06-25.

Robb (1966) Syracuse Research Corporation and Office of Pollution Prevention and Toxics, US Environmental Protection Agency. 2011. The Estimation Programs Interface (EPI) Suite v4.10 Report date 2012-06-25.

Roy F. Weston (1978) Analytical Results: WIS Series Compounds. The Procter and Gamble Company, study no: WTDS-22816. Report date: 1978-03-20.

SafePharm Laboratories Ltd. (1994) Assessment of Ready Biodegradability Using the CO2 Evolution Test (Modified Sturm Test). Report No: UC-508-35, Report Date: 1994-03-22. Author: Sewell, Horton.


133

Sangster (1993) Syracuse Research Corporation and Office of Pollution Prevention and Toxics, US Environmental Protection Agency. 2011. The Estimation Programs Interface (EPI) Suite v4.10 Report date 2012-06-25.

Sangster (1994) WSKOW v1.41 EPA EPI Suite database.

SAX's Dangerous Properties of Industrial Materials (1998), 9th Ed.

Schaefer, H. and Redelmeier, T.E. (1996) Skin barrier: principles of percutaneous absorption. S. Karger Publishers, New York.

Scheutwinkel-Reich M, Ingerowski G, and Stan HJ. (1980) [106-14-9] Microbiological Studies Investigating Mutagenicity of Deep Frying Fat Fractions and Some of Their Components. Lipids, 15(10):849-852. SDA report no: SDAFA123.

Scimeca JA. (1998) [60-33-3] Toxicological Evaluation of Dietary Conjugated Linoleic Acid in Male Fischer 344 Rats. Food and Chemical Toxicology, 36:391-95. SDA Report no: SDAFA116.

Seidenberg JM and Becker RA (1987) A Summary of the Results of 55 Chemicals Screened for Developmental Toxicity in Mice. Teratogenesis, Carcinogenesis, and Mutagenesid. Report no. SDAFA117.

Shimizu H, Suzuki Y, Takemura N, Goto S, and Matsushita H. (1985) The Results of Microbial Mutation Test for Forty-three Industrial Chemicals. Jpn. J. Ind. Health. 27: 400-419. SDA Report No: SDAFA194

Soap and Detergent Association. (2002) Survey of Global ICCA Aliphatic Acids Consortium Members. Unpublished.

Solutia Inc. (1968) [110-94-1] Unpublished Data, YO-68-89.

Solutia Inc. (1975) [124-04-9] Unpublished Data, YO-75-187.

Sondergarrd D., Meyer O. and Wurtzen (1980) Magnesium Stearate Given Perorally to Rats: A Short Term Study. Toxicology, 17: 51-55. SDA Report No: SDAFA156. Report Date: 1980-01-01.

Springborn Bionomics (1985) Acute Toxicity of P1943.01 [Hardened Tallow Fatty Acid] to Daphnia. Report no: BW-85-6-1794, Report date: 1985-10-25. Owner: The Proctor and Gamble Company.

Stanton, Kathleen (2012) Communication from K Stanton Director, Technical and Regulatory Affairs American Cleaning Institute®.


134

Steiling, W. (1990) DHW 80 (50%) - Acute Eye Irritation. Department of Toxicology, Henkel KGaA. Henkel KGaA Report no. TBD900762. Cognis Deutschland GmbH HTX900434.

Sterling-Winthrop Research Institute (1978) Unpublished Data.

Sterling-Winthrop Research Institute (1981) Unpublished Data. Study contracted to Litton Bionetics.

Sterling-Winthrop Research Institute (1983a) Unpublished Data, study contracted to Pharmakon Research International, Inc.

Sterling Winthrop Research Institute (1983b) Unpublished Data, contracted to Litton Bionetics.

Sterling-Winthrop Research Institute (1984) [110-94-1] Unpublished data.

Stillman, M.A., Maibach, H.I., and Shalita, A.R. (1975) Relative irritancy of free fatty acids of different chain lengths. Contact Dermatitis, 1:65-69.

Thompson (1992) Sebacic Acid: Reverse Mutation Assay "Ames Test" using Salmonella Typhimurium. Company: not specified, Report no: UC-508-1, Report date: 1992-10-23.

TNO Institute of Environmental Sciences (1992) The Acute toxicity of E-3711.01 [Oleic Acid] to Daphnia Magna. Report no: TNO MTB 89-0028-01, Report date: 1992-05-21. Owner: The Proctor and Gamble Company, Study no: PandG WTDS Acc # 35181.

Unilever Research (1988) The Acute Toxicity of (CAS #112-80-1) to Rainbow Trout (Salmo gairdneri) under Static Renewal Conditions: 96-hr LC50. Report no: UNI-AT-H23-01, Report date: 1988-10-03. Author: Marshall.

Union Camp Chemicals Ltd. (1993a) The Acute Toxicity of Sebacic Acid to Zebrafish (Brachydanio rerio). WRc Medmenham, England. Report no. UC-CO3396.

Union Camp Chemicals Ltd. (1993b) The Acute Toxicity of Sebacic Acid to the Water Flea (Daphnia Magna) WRc Medmenhamn. Report no. UC-CO3383. NCOM/92/24. Author: Sims, I.

Union Camp Chemicals Ltd. (1993c) Assessment of the Algistatic Effect of Sebacic Acid. SafePharm Laboratories Ltd. Report no. UC-508-22. Union Camp Chemicals (UK) Limited 508/22 Author: Sewell, Horton.

Union Carbide Environmental Services (1977a) Acute Toxicity of WIS77.004 (100% Active Ingredient) to the Bluegill Sunfish, Lepomis macrochirus. Report no. UCES 11506-25-48. The Procter and Gamble Company. Report date 1977-12-28


135

Union Carbide Environmental Services (1977b) Acute Toxicity of MPS-77.008 [oleic acid] (100% Active Substance) to Bluegill Sunfish, Lepomis macrochirus Rafinesque study report. Union Carbide Environmental Services Report no. UCES Proj. # 11506-25-23, Report date: 1977-08-09.

United States Environmental Protection Agency (USEPA) (2000) Ecotox database. EPA Office of Pesticide Programs. Pesticide Ecotoxicity Database (Formerly: Environmental Effects Database (EEDB)). Environmental Fate and Effects Division, U.S. EPA, Washington, D.C. Report no. 344, Aquatic Test # 501037.

United States Food and Drug Administration (USFDA) (1972) Food and Drug Laboratories, Inc. Report PB-221 802 (February 26).

United States Food and Drug Administration (USFDA) (1974) PB-245 466, prepared by Litton Bionetics, Incorporated (December 9).

World Health Organization (WHO) (1990) Principles for the Toxicological Assessment of Pesticide Residues in Food.

Yalkowsky and Dannenfelser (1992) Syracuse Research Corporation and Office of Pollution Prevention and Toxics, US Environmental Protection Agency. 2011. The Estimation Programs Interface (EPI) Suite v4.10 Report date 2012-06-25.

Yalkowsky, S.H., He, Yan. (2003) Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds. CRC Press LLC, Boca Raton, FL. 2003 [As cited in HSDB]. Yaws (1994) Syracuse Research Corporation and Office of Pollution Prevention and Toxics, US Environmental Protection Agency. 2011. The Estimation Programs Interface (EPI) Suite v4.10 Report date 2012-06-25. Zeiger E, Anderson B, Haworth S, Lawlor T, and Mortelmans K. (1987) Salmonella Mutagenicity Tests III. Results from the Testing of 225 Chemicals. Environ. Mutagen. 9(9):1-109. SDA Report no: SDAFA201. Zeiger E, Anderson B, Haworth S, Lawlor T, and Mortelmans K (1992) Salmonella Mutagenicity Tests V. Results from the Testing of 311 Chemicals. Environmental and Molecular Mutagensis 19 (21): 2-14. Report no. SDAFA131.

Zhang X, Peterson CL, Reece D, Moller G, and Haws R. (1996) Biodegradability of Biodiesel in the Aquatic Environment. http://www.biodiesel.org/ Report No: ZHANG 1996.

ZR-FE/Toxikologie (1982) (translation) P3 raw material, Acute toxicity project, partial report, Pb 453. Potokar. Report no. SDAFA157 Project no. 75.150. Report date 1982-11-26.

http://www.biodiesel.org/


136


137

ANNEX 1 Summary of Mammalian Toxicity Data Read Across Approach

(Oral = mg/kg bw/day; Inhalation = mg/L)

Substance CAS#

Acute toxicity

(oral and inhalation)

Repeated dose* (oral)

Gene mutation in vitro

Chromosome aberration in vitro


in vivo

Effects on fertility and reproductive

organs

Developmental toxicity

(oral)

Single component 124-07-2 LD50 oral

> 2000, > 5000, > 14700

NOAEL = 467 – 1970

(36wk) (RA)

Negative

Negative (RA) Negative (RA) NOAEL = 467-1970

(M); NOAEL = 1000 (RA)

NOEL = 10,000 (RA)

112-05-0

LD50 oral > 2000 (RA)

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)

Negative (RA) Negative (RA) NOAEL = 467-1970 (M); NOAEL = 1000 (RA)

NOEL = 10,000 (RA)

334-48-5

LD50 oral > 10000

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)


NOEL = 10,000 (RA)

143-07-7 LD50 oral

> 5000, > 10000

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)


NOEL = 10,000 (RA)

544-63-8

LD50 oral > 10000

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)


NOEL = 10,000 (RA)

57-10-3 LD50 oral >

5000, > 10000

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)


NOEL = 10,000 (RA)

506-12-7

LD50 oral > 2000 (RA)

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)


NOEL = 10,000 (RA)

57-11-4 LD50 oral >

5000, > 10000

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)


NOEL = 10,000 (RA)

30399-84-9

LD50 oral > 2000

NOAEL = 467 – 1970

(36wk) (RA)

Negative


NOEL = 10,000 (RA)

106-14-9 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970

(36wk) (RA)

Negative Negative

Negative (RA) NOAEL = 467-1970 (M); NOAEL = 1000 (RA)

NOEL = 10,000 (RA)

544-64-9 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)


NOEL = 10,000 (RA)

2091-29-4 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)


NOEL = 10,000 (RA)

112-80-1 LD50 oral > 2000, > 5000, > 19100

NOAEL = 14000 (90d)

Negative

Negative (RA) Negative (RA) NOAEL = 14,000

NOEL = 10,000 (RA)

60-33-3 LD50 oral > 2000 (RA)

NOAEL = 467 – Negative Negative (RA) Negative (RA) NOAEL = 467-

1970 (M) NOEL = 10,000


138

Substance CAS#

Acute toxicity






in vivo


organs


(oral)

1970 (36wk)

121250-47-3 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)


NOEL = 10,000 (RA)

112-86-7

LD50 oral > 5000

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA)


NOEL = 10,000 (RA)

463-40-1

LD50 oral > 2000 (RA)

NOAEL = 467 – 1970

(36wk) (RA)

Negative (RA) Negative (RA) Negative (RA)

NOAEL = 467-1970 (M); NOAEL =

1000 (RA)

NOEL = 10,000 (RA)

Supporting substances 111-14-8 Not

applicable Not

applicable Negative Not applicable Not applicable Not applicable Not applicable

112-85-6 LD50 oral > 2000

NOAEL = 1000 (42d)

Negative Negative Not applicable

NOAEL = 1000 NOAEL = 1000

142-62-1 Not applicable

Not applicable Negative Not applicable Not applicable Not applicable Not applicable

Alkyl range sourced based (single or multi-component) 68603-84-9 LD50 oral

> 2000 (RA) NOAEL =

2500 (90d) (RA)

Negative (RA)

Negative (RA) Negative (RA) NOAEL = 5000

(F0,F1) (RA) NOAEL = 5000 (RA)

68937-74-6 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

67762-36-1 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68937-75-7 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

67701-02-4 LD50 oral >

2000

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

67701-03-5 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68937-76-8 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

90990-11-7 LD50 oral >

5000

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68424-37-3 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68002-90-4 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

90990-10-6 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)


139

Substance CAS#

Acute toxicity






in vivo


organs


(oral)

90990-08-2 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

67701-01-3 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

67701-05-7 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

90990-15-1 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68918-39-8 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68334-03-2 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68002-87-9 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

67701-06-8 LD50 oral >

5000

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

67701-08-0 LD50 oral >

5000

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

67701-07-9 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68648-24-8 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

61790-37-2 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68440-15-3 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68308-53-2 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

61789-45-5 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

61790-38-3 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68937-85-9 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

68938-15-8 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)


140

Substance CAS#

Acute toxicity






in vivo


organs


(oral)

61788-47-4 LD50 oral > 2000 (RA)

NOAEL = 2500 (90d) (RA)

Negative (RA)


(F0,F1) (RA) NOAEL = 5000 (RA)

Supporting substances 61790-12-3 LD50 oral >

10000

NOAEL = 2500 (90d)

Negative Not applicable Not applicable NOAEL = 5000

(F0,F1) NOAEL =

5000

85711-54-2 LD50 oral > 2000

Not applicable

Not applicable

Not applicable Not applicable Not applicable Not applicable

Dicarboxylic acids (single or multi-component) 68937-72-4

LD50 oral > 2000 (RA)

NOAEL = 2700(M)

63(F) (2yr) (RA)

Negative (RA)

Negative (RA) Negative (RA) NOAEL = 2700 (M); 63 (F);

NOAEL = 1000 (RA)

NOAEL = 288 (maternal and developmental) (RA)

123-99-9 LD50 oral >

5000

NOAEL = 2700(M) 63(F) (2yr) (RA)

Negative (RA)

Negative (RA) Negative (RA) NOAEL = 2700 (M); 63 (F); NOAEL = 1000 (RA)


111-20-6 LD50 oral >

2000

NOAEL = 2700(M) 63(F) (2yr) (RA)

Negative



68937-70-2 LD50 oral

> 2000 (RA)

NOAEL = 2700(M) 63(F) (2yr) (RA)

Negative (RA)



Supporting substances 110-15-6 LD50 oral =

2260

NOAEL = 1700-2100

(13wk) Negative Negative

Not applicable Not applicable Not applicable

110-94-1

LD50 oral = 2750

NOAEL = 800 (90d) Negative

Not applicable In vivo mouse micronucleus

/Negative Not applicable

NOAEL (maternal) = 125 Developmental = 1300

124-04-9 LD50 oral = 5050, =

1900

NOAEL = 2700(M)

63(F) (2yr)

Negative

Not applicable Negative NOAEL = 2700

(M); 63 (F)

NOAEL = 288 (maternal and developmental)

871-70-5

LD50 oral > 5000

NOAEL = 1000

(28d), = 1000(14d

rf)

Negative Negative

Negative (RA) Not applicable Not applicable

693-23-2 LD50 oral >

3000, > 17000

NOAEL = 5000(14d

rf), = 1000 (15d)

Negative Negative (RA)

Negative (RA)

NOAEL = 1000

NOAEL = 1000 (parental and developmental)

Fatty acid distillation residues (multi-component)1 72379-28-3

LD50 oral > 2000 (RA)

NOAEL = 1000 (28d) (RA)

Negative (RA)

Negative (RA) NOAEL = 5000

(F0,F1) (RA) NOAEL = 5000 (RA)

70321-72-1 LD50 oral > 2000

NOAEL = 1000 (28d)

Negative Negative (RA)

NOAEL = 5000 (F0,F1) (RA)

NOAEL = 5000 (RA)

Sodium and potassium salts (single or multi-component)2 1984-06-1 LD50 oral

> 2000 (RA) NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

1002-62-6 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)


141

Substance CAS#

Acute toxicity






in vivo


organs


(oral)

629-25-4 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

822-12-8 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

408-35-5 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

822-16-2 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

67762-44-1 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

91032-12-1 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

67701-11-5 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

61789-31-9 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

68082-64-4 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

8052-48-0 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

61790-79-2 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

67701-10-4 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

68424-38-4 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

10124-65-9 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)


142

Substance CAS#

Acute toxicity






in vivo


organs


(oral)

143-18-0 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

67701-09-1 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

68002-80-2 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


NOAEL = 5000 (RA)

61789-30-8 LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)

Negative (RA) Negative (RA) NOAEL = 467-1970

(M); NOAEL = 1000 (RA)

NOAEL = 5000 (RA)


2000 Not

applicable Not

applicable Not applicable Not applicable Not applicable Not applicable

Magnesium and calcium salts (single or multi-component)2 557-04-0 LD50 oral >

10000 LC50 inh > 2 (60 min)

NOAEL = 4000 (90d)

Negative


NOAEL = 5000 (RA)

64755-01-7 LD50 oral > 10000;

LC50 inh > 2 (60 min)

(RA)

NOAEL = 4000 (90d) (RA)

Negative (RA)


(RA)

NOAEL = 5000 (RA)

542-42-7 LD50 oral > 10000;

LC50 inh > 2 (60 min)

(RA)

NOAEL = 4000 (90d) (RA)

Negative (RA)


(RA)

NOAEL = 5000 (RA)

Ammonium salts (single component)2 2437-23-2

LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)


1002-89-7

LD50 oral > 2000 (RA)

NOAEL = 467 – 1970 (36wk) (RA)

Negative (RA)



2000 Not

applicable Negative Not applicable Not applicable Not applicable Not applicable

Multi-component substances presented in red text. *Subchronic and chronic studies

(1) Fatty acid distillation residues contain the same chain ranges (tallow, C8-18, C18-unsat) as CAS No. 67701-05-7, Fatty acids, C8-18 and C18-unsaturated (Alkyl range and source based), but purity is lower. The supporting substances for Alkyl range and sourced based, and Fatty acid distillation residues are the same.



143

ANNEX 2 EXPOSURE

ALIPHATIC ACIDS USE AND EXPOSURE INFORMATION

Purpose: To provide high end estimates of the potential environmental and human exposure to aliphatic acids from its manufacture and its use in industrial and institutional (I&I), commercial and consumer products in the United States (U.S.) and Europe to complement an Organization for Economic Co-Operation and Development Screening Information Data Sets (OECD SIDS) Programme review of this category. Coverage: The report covers manufacturing and professional (I&I and commercial) and consumer use for aliphatic acids in the United States (U.S.) and in Europe. Synthesis of Key Assessment Results: The Aliphatic Acids Category consists predominantly of linear C8-C22 aliphatic acids. Also included in the category are some of the corresponding acid salts, di-salts, branched acids, dicarboxylic acids, and distillation residues. In total, 98 aliphatic acids are sponsored in the category; 78 have high production volume (HPV) status in one or more OECD regions; 20 other substances are included which provide supporting data. Approximately 997,900 metric tonnes of aliphatic acids and their salts are produced in Europe annually. In the U.S., production is approximately 952,500 metric tonnes per year. Aliphatic acids and their salts are widely used in cleaning products, soaps, cosmetics, and paints and coatings. Their industrial applications include uses as chemical intermediates, lubricants, and various uses in the textile and rubber industries. The predominant disposal route following industrial, institutional and consumer use of the products that contain chemicals of this category is via wastewater. The environmental impact of the industry produced fatty acids should be minimal due to the natural micro-flora and fauna’s production and use of fatty acids. The solubility of the members of the Aliphatic Acids Category depends on chain length and addition of insoluble groups. In general, aliphatic acids are considered to be water soluble with chain lengths up to C16, and all have very low volatility(<0.1hPa at 25°C). Residual chemicals of this category entering the environment are biodegradable under aerobic conditions and are effectively removed during wastewater sewer transport and in biological wastewater treatment (~99%), are rapidly biodegraded (>60% in ≤28 days), and their bioaccumulation potential is low (BCF approximately 3, estimated). These characteristics help to minimize the potential for environmental and indirect human exposure. Engineering controls and personal protective equipment at manufacturing and formulation facilities and industrial end uses such as in the textile and rubber industries mitigate worker exposures; there are no special engineering controls or additional personal protective equipment required for handling the substances in the Aliphatic Acids Category. The Human and Environmental Risk Assessment (HERA) for human (direct and indirect) and environmental exposures to aliphatic acids salts used in European household cleaning products is presented. Indirect human exposures though water and fish consumption as a result of releases to the environment were modeled for the U.S. for all sponsored substances. For Europe, the modeled human exposure levels to aliphatic acid salts are at least five orders of magnitude lower than the no observed adverse effect level (NOAEL) of 750 mg/kg/day. U.S. modeling based on the major routes of exposure (dermal, inhalation, and oral) from use of laundry/cleaning products and personal care products and modeled exposures from drinking water and fish consumption are presented. The total for all routes considered resulted in an 80.06 mg/kg/day exposure to aliphatic acids. This exposure is significantly below the NOAEL of 750 mg/kg/day. A monitoring study in Spain determined that aliphatic acid salts (soaps) levels in treatment plant influent average 28 mg/L. The influent measured value is higher than predicted likely due to the microbial breakdown of fats and oils in sewage releasing fatty acids. Primary removal of aliphatic acid salts in settled


144

sewage was 51%, and effluent concentrations of the acid salts averaged 174 µg/L. Overall removal of aliphatic acid salts during sewage treatment was 99.0%. The aquatic Predicted No Effect Concentration (PNEC) for aliphatic acids based on a geometric mean was determined to be 27µg/L. This PNEC is comparable to the HERA reported lowest aquatic PNEC of 0.02 mg/L based on a reliable fish chronic NOEC value for C12. Based on modeled environmental releases, the aquatic PEC/PNEC ratio ranged from 1.26 x 10-4 to over 100 for U.S. modeling and from the HERA report. The highest ratios represent unrealistic scenarios where either all the U.S. manufacturing was conducted on one small stream during lowest flows, or all the down-the-drain use of aliphatic acids went to one small stream during lowest flows. Otherwise, aquatic PEC/PNEC ratios were under or just over 1. European modeling was conducted for aliphatic acid salts in soil, sediment, and sewage treatment plant scenarios. In most cases, the PEC/PNEC ratios were below 1.

Identity of Organization Aliphatic Acids Consortium

American Cleaning Institute®, c/o Kathleen Stanton ([email protected]) 1331 L St. NW, Suite 650, Washington, DC 20005


145

Table of Contents

FORMAT A: GENERAL INFORMATION ....................................................................................................................

I. Substance Information ................................................................................................................................................ II. Summary .................................................................................................................................................................... III. Production, Import, and Use ............................................................................................................................... IV. Activities, Release and Exposures – Factors that Mitigate or Exacerbate Exposures ........................................

FORMAT B: MONITORING EVALUATION #1 MONITORING ALIPHATIC ACID SALTS (SOAPS) FATE IN SPAIN .............................................................................................................................................................................

I. Identification Information ........................................................................................................................................... II. Monitoring Study Design ........................................................................................................................................... III. Sampling and Analytical Methods ...................................................................................................................... IV. Results and Reliability Description ....................................................................................................................

FORMAT C: MODELING EVALUATION #1 RELEASE AND HUMAN/ENVIRONMETAL EXPOSURE FROM U.S. PRODUCTION FACILITY .................................................................................................................

I. Identification Information ........................................................................................................................................... II. Modeling Objective .................................................................................................................................................... III. Description of Model and Model Validation ...................................................................................................... IV. Inputs, Outpust, and Quality Description ...........................................................................................................

FORMAT C: MODELING EVALUATION #2 RELEASE AND HUMAN/ENVIRONMETAL EXPOSURE FROM CONSUMER USE: U.S. SCENARIO ..........................................................................................................


FORMAT C: MODELING EVALUATION #3 RELEASE AND ENVIRONMENTAL EXPOUSRE FROM CONSUMER USE: EUROPAE SCENARIO FOR ALIPHATIC ACID SALTS .................................................


FORMAT C: MODELING EVALUATION #4 DERMAL AND INHALATION EXPOSURES FROM CONSUMER USES OF PRODUCTS; EUROPEAN MODEL FOR ALIPHATIC ACID SALTS.....................


FORMAT C: MODELING EVALUATION #5 DERMAL, INHALATION, AND ORAL EXPOSURES FROM CONSUMER USES OF PRODUCTS: U.S. MODLE FOR ALIPHATIC ACIDS ...............................................



146

Format A: General Information I. Substance Information (1) Category Name: Aliphatic Acids Category (2) Substance Name(s) and CAS numbers: Aliphatic acids are classified into one category and include the following 98 ICCA-sponsored CAS numbers and corresponding chemical names (the 78 HPV substances are bolded):

57-10-3 Hexadecanoic acid 57-11-4 Octadecanoic acid 60-33-3 9,12-Octadecadienoic acid

106-14-9 Octadecanoic acid, 12-hydroxy 111-20-6 Decanedioic acid 112-05-0 Nonanoic acid 112-80-1 9-Octadecenoic acid, (Z)- 112-86-7 13-Docosenoic acid, (Z)- 123-99-9 Nonanedioic acid 124-07-2 Octanoic acid 143-07-7 Dodecanoic acid 143-18-0 9-Octadecenoic acid, (Z), potassium salt 334-48-5 Decanoic acid 408-35-5 Hexadecanoic acid, sodium salt 463-40-1 9,12,15-Octadecatrienoic acid, (Z,Z,Z) 506-12-7 Heptadecanoic acid 542-42-7 Hexadecanoic acid, calcium salt 544-63-8 Tetradecanoic acid 544-64-9 9-Tetradecenoic acid, (9Z)- 557-04-0 Octadecanoic acid, magnesium salt 629-25-4 Dodecanoic acid, sodium salt 822-12-8 Tetradecanoic acid, sodium salt 822-16-2 Octadecanoic acid, sodium salt

1002-62-6 Decanoic acid, sodium salt 1002-89-7 Octadecanoic acid, ammonium salt 1984-06-1 Octanoic acid, Na salt 2091-29-4 9-Hexadecenoic acid, (Z)- 2437-23-2 Dodecanoic acid, ammonium salt 8052-48-0 Fatty acids, tallow, sodium salts

10124-65-9 Dodecanoic acid, potassium salt 30399-84-9 Isooctadecanoic acid 61788-47-4 Fatty acids, coco 61789-30-8 Fatty acids, coco, potassium salts 61789-31-9 Fatty acids, coco, sodium salts 61789-45-5 Fatty acids, dehydrated castor-oil 61790-37-2 Fatty acids, tallow 61790-38-3 Fatty acids, tallow, hydrogenated 61790-79-2 Fatty acids, palm-oil, sodium salts 64755-01-7 Fatty acids, tallow, calcium salts 67701-01-3 Fatty Acids, C12-18


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67701-02-4 Fatty acids, C14-18 67701-03-5 Fatty acids, C16-18 67701-05-7 Fatty acids, C8-18 and C18-unsaturated 67701-06-8 Fatty acids, C14-18 and C16-18-

unsaturated 67701-07-9 Fatty acids, C16 and C18-unsaturated 67701-08-0 Fatty acids, C16-18 and C18-unsaturated 67701-09-1 Fatty acids, C8-18 and C18-unsaturated,

potassium salts 67701-10-4 Fatty acids, C8-18 and C18-unsaturated,

sodium salts 67701-11-5 Fatty acids, C14-18 and C16-18-

unsaturated, sodium salts

67762-36-1 Fatty acids, C6-12 67762-44-1 Fatty acids, C6-12, Na salts 68002-80-2 Fatty acids, C14-18 and C16-18-

unsaturated, potassium salts


68002-90-4 Fatty acids, C10-16 68082-64-4 Fatty acids, vegetable-oil, sodium salts 68308-53-2 Fatty acids, soy 68334-03-2 Fatty acids, C12-20 and C12-20 unsaturated 68424-37-3 Fatty acids, C14-22 68424-38-4 Fatty acids, C16-18, sodium salts 68440-15-3 Fatty acids, palm-oil 68603-84-9 Carboxylic acids, C5-9 68648-24-8 Fatty acids, vegetable-oil, unsaturated 68918-39-8 Soaps, stocks, C8-18 and C18 unsaturated

alkyl, acidulated 68937-70-2 Carboxylic acids, C6-18 and C8-15 di- 68937-72-4 Carboxylic acids, di-, C4-11 68937-74-6 Fatty acids, C6-10 68937-75-7 Fatty acids, C8-10 68937-76-8 Fatty acids, C16-20 68937-85-9 Fatty acids, coco, heavy fractions 68938-15-8 Fatty acids, coco, hydrogenated 70321-72-1 Fatty acids, C8-18 and C18 unsaturated,

distillation residues 72379-28-3 Fatty acids, tallow, hydrogenated,

distillation residues

90990-08-2 Fatty acids, C8-18 90990-10-6 Fatty acids, C12-14 90990-11-7 Fatty acids, C18-22 90990-15-1 Fatty acids, C12-18 and C18-unsaturated 91032-12-1 Fatty acids, C12-18, sodium salts

121250-47-3 Octadecadienoic acid; conjugated


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143-19-1 9-Octadecenoic acid, (Z)-, sodium salt 120-87-6 9,10-Dihydroxy-octadecanoic acid 84753-04-8 9,10-Dihydroxy-octadecanoic acid, ammonium

salt 2197-37-7 9,12-Octadecadienoic acid 110-15-6 Butanedioic acid 693-23-2 Dodecanedioic acid 112-85-6 Docosanoic acid 91032-02-9 Fatty acids, C12-18, potassium salt 68424-26-0 Fatty acids, C16-18 and C18-unsaturated,

sodium salts 68604-80-8 Fatty acids, C16-22, sodium salts 95912-82-6 Fatty acids, C16-22 and C18-22 unsaturated 85711-54-2 Fatty acids, rape-oil 68953-27-5 Fatty acids, sunflower, conjugated 61790-12-3 Fatty acids, tall-oil 111-14-8 Heptanoic acid 124-04-9 Hexanedioic acid 142-62-1 Hexanoic acid 637-12-7 Octadecanoic acid, aluminum salt 871-70-5 Octanedioic acid 110-94-1 Pentanedioic acid

(3) Substance Formula and Structure: The general structure for aliphatic acids is:

RC(=O)OX, where:

R is a linear alkyl chain that may be saturated or unsaturated (with 1 to 3 double bonds) and; X is the hydrogen ion for aliphatic acids; or,

X = the ammonium, sodium or potassium ion for salts.

The Aliphatic Acids Category includes sodium or potassium salts of C10-22 aliphatic acid, which are commonly called soaps.

The Aliphatic Acids Category also includes:

Di-acid salts with calcium or magnesium:

RC(=O)OYOC(=O)R, where Y is calcium or magnesium.

A methyl-branched aliphatic acid, isooctadecanoic acid:

O=C(O)CCCCCCCCCCCCCCC(C)C

An aliphatic acid with a hydroxyl group, 12-hydroxy-octadecanoic acid:

O=C(O)CCCCCCCCCCC(O)CCCCCC

Two single-chain length dicarboxylic acids (decanedioic acid):


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HOC(=O)(CH2)nC(=O)OH, where n = 7 (nonanedioic acid, C9); or,

n = 8 (decanedioic acid, C10).

Dicarboxylic acids that are a mixture of C6-9 dicarboxylic acids (Carboxylic acids, di-, C4-11) and a mixture of C9-18 monocarboxylic acids and C6-14 dicarboxylic acids (Carboxylic acids, C6-18 and C8-

15 di-):

O=C(O)CCCCCCC(=O)O

CCCCCC(=O)O

Two fatty acid distillation residues (Fatty acids, C8-18 and C18 unsaturated, distillation residues and Fatty acids, tallow, hydrogenated, distillation residues) which consist of 60-70% C6-C26 aliphatic acids, with the remainder consisting of triglycerides.

(4) Physical Form: Aliphatic acids are generally solids at room temperature; melting point >100°C. Exceptions are the aliphatic acids with chain lengths less than C10 (C8 and C9 aliphatic acids) and the unsaturated C18 aliphatic acids, which have measured melting points in the 12-16ºC range. The unsaturated aliphatic acids with chain lengths between C14 and C18 may also be liquids at room temperatures. Mixtures of aliphatic acids with high C8 and C9 aliphatic acid content, or with high unsaturated aliphatic acid content, may be liquids as well. Aliphatic acids are supplied to formulators as aqueous solutions (30-60% active substance) or solids containing >88 to 100% active substance. (5) Other Constituents (If Applicable): Not applicable. II. Summary

(1) Data Collection Efforts Information in this assessment was assembled from a number of sources: a) Member company surveys of the Aliphatic Acids Consortium (including producers representing the majority of aliphatic acids production in the U.S.), the American Cleaning Institute (ACI®, U.S.), and European Oleochemicals and Allied Products Group (APAG, EU) were used to collect data on aliphatic acids production volumes, uses, releases, and potential exposures. To protect proprietary information, an independent third party compiled the survey data. b) An Environmental Risk Assessment on Fatty (Aliphatic) Acid Salts exists as a HERA report (HERA, 2003), in which appropriate data are compiled. These data include monitoring data for aliphatic acids. The CAS numbers compiled in the HERA documentation are: 629-25-4, 143-18-0, 143-19-1, 822-16-2, 2272-11-9, 85408-69-1, 143-07-7, 90990-09-3, 67701-01-3, 67701-03-5, 67701-06-8, 85711-54-2, 68424-37-3. c) An Environmental Risk Characterization of Soaps (van de Plassche et al., 1999), in which toxicity data are compiled for alkyl chain lengths of C12-C14, C16-C18, and unspecified chain lengths. A geometric mean of three individual PNEC values was used to obtain a representative PNEC (27 µg/L). d) A Human Health Risk Assessment exists in terms of a HERA report on the Fatty (Aliphatic) Acid Salts (HERA, 2002). The CAS numbers compiled in the HERA documentation are: 629-25-4, 143-18-0, 143-19-1, 822-16-2, 2272-11-9, 85408-69-1, 143-07-7, 90990-09-3, 67701-01-3,


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67701-03-5, 67701-06-8, 85711-54-2, 68424-37-3. Exposures from consumer uses of products containing chemicals of this category are examined using general models for two exposure scenarios: 1) dermal contact (direct and indirect) and; 2) exposure via inhalation. e) Additional modeling was performed to assess human (indirect) and aquatic exposures resulting from releases to the environment from U.S. facilities and from U.S. consumer use of products. (2) Discussion of Key Uncertainties, Limitations, Data Gaps a) Consumer exposures are identified for all known consumer product category uses in the U.S. and Europe b) The HERA Assessments are only based on aliphatic acid salts production; it is not representative of the entire category. c) The human and environmental exposure assessments take a conservative (protective) approach to modeling, selecting inputs based on conservative values and worst case estimates for frequency and duration of tasks. Thus, modeled estimates are likely to exceed actual exposures. i) For European consumer exposure, measured dermal absorption is below 1% (Rice, 1977) or very low (Schaefer and Redelmeier, 1996) such that all modeled exposures include a default assumption of 1%. A percent retention on the skin of 100% was also assumed. ii) For predicted environmental exposures, the modeling estimates are supported by a comparison to available monitoring data.

(3) Exposure Results: The following tables show the estimated human and environmental exposure for the scenarios assessed, and the PNEC or NOAEL hazard values.

Environmental Exposure Scenarios (U.S.)

Exposure Scenario

Concentration

(µg/L)

PNEC (µg/L)1

Modeled Surface Water Concentrations for Hypothetical U.S. Manufacturing Facility2 Aquatic Exposure – 4080 kg/day total process loss 50th %tile stream3 10th %tile4 stream with 7Q10 flow5

98.6 3926.9

27 27

Modeled Surface Water Concentrations for Consumer Down-the-Drain Release6 Aquatic Exposure – 952,500 tonnes/yr total annual production (8.97 g/person/day) 50th %tile stream 10th %tile stream with 7Q10 flow

1.71 231.2

27 27

1PNEC determined by van de Plassche et al. (1999) 2Format C: Modeling Evaluation #1 3Exposure calculations based on the median (i.e., 50th percentile) surface water concentrations and represent central tendency exposure. These flows are used to represent mid-sized stream flows 4Exposure calculations based on the high-end (i.e., upper 10th percentile) surface water concentrations and represent the bounding high-end exposures. These flows are used to represent small streams.


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5Seven consecutive days of lowest flow over a 10-year period. These flows are used to calculate estimates of chronic surface water concentrations to compare with the concentrations of concern for aquatic life. 6Format C: Modeling Evaluation #2

Environmental Exposure Scenarios (Europe)1 PEC/PNEC Ratios (standard European Union System for the Evaluation of Substances (EUSES) removal scenario for calcium salts) PEC/PNEC Water Soil Sediment STP C10 0.0164 0.0175 0.0188 7.84E-04 C12 1.33 1.38 1.50 0.0238 C14 0.309 0.502 0.344 5.40E-03 C16 0.599 1.36 0.680 6.51E-03 C18 0.451 0.262 0.509 0.0135 C22 8.35E-04 3.18E-04 9.44E-04 3.70E-04 Total 2.70 3.51 3.05 0.0503

PEC/PNEC Ratios (realistic removal scenario for calcium salts and 1.25 scaling factor) PEC/PNEC Water Soil Sediment STP C10 1.45E-03 2.12E-04 1.66E-03 5.76E-05 C12 0.121 0.162 0.137 1.95E-03 C14 0.0433 0.0441 0.0489 6.19E-04 C16 0.0552 0.0176 0.0623 9.08E-04 C18 0.0719 3.36E-03 0.0811 1.67E-03 C22 1.26E-04 2.66E-06 1.41E-04 4.19E-05 Total 0.293 0.227 0.331 5.25E-03

PEC/PNEC Ratios (advanced removal scenario) for the total tonnage (assuming HERA chain length distribution) PEC/PNEC Water Soil Sediment STP C10 0.0143 2.08E-03 0.0163 5.66E-04 C12 1.19 1.59 1.34 0.0192 C14 0.426 0.433 0.481 6.09E-03 C16 0.543 0.173 0.612 8.93E-03 C18 0.707 0.0330 0.797 0.0164 C22 1.24E-03 2.61E-05 1.39E-03 4.12E-04 Total 2.88 2.23 3.25 0.0516

1Format C: Evaluation #3

Consumer Exposure Scenarios (U.S. and Europe)

Exposure Scenario

Estimated Exposure (mg/kg bw/day)

NOAEL1 (mg/kg bw/day)

Indirect Exposure – Manufacturing Effluent Modeling: U.S.2 Drinking Water Consumption - 50th %tile stream 10th %tile stream Fish Consumption - 50th %tile stream 10th %tile stream

7.38 x 10-6

6.44 x 10-5

2.24 x 10-4

1.96 x 10-3

750

Indirect Exposure – Consumer down-the-drain Modeling: U.S.3


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Drinking Water Consumption - 50th %tile stream 10th %tile stream Fish Consumption - 50th %tile stream 10th %tile stream

2.54x10-5

4.31x10-4

3.44x10-7 5.84x10-6

750

Dermal, and Inhalation Modeling of Aliphatic Acid Salts: European Consumers4

NOAEL (mg/kg bw/day)

Hand washed laundry (dermal, direct) Pretreatment of clothes (dermal, direct) Toilet cleaning (dermal, direct) Hard surface cleaning (dermal, direct) Transfer from clothing (dermal, indirect) Laundry powder dust and aerosol spray cleaners (inhalation)

1.4 x 10-4 2.0 x 10-3 7.6 x 10-6 2.0 x 10-3 7.9 x 10-4 2.0 x 10-6

750

Dermal, Inhalation and Oral Modeling of Aliphatic Acid: U.S. Consumers5


Hand wash laundry (dermal, direct) Pretreatment of clothes (dermal, direct) Dish hand wash (dermal, direct) Dish detergent hand washing (dermal, direct) Hard surface cleaning (dermal, direct) Body washes (dermal, direct) Shampoo (dermal, direct) Hair Conditioner (dermal, direct) Hand and face soap (liquid) (dermal, direct) Laundry Residue (dermal, indirect) Pouring product (inhalation, direct) Hand wash dishes (oral, indirect)

4.7 x 10-3 1.0 x 10-2 4.5 x 10-4 8.9 x 10-5

4.6 x 10-2

1 14 11 34 20

4.5 x 10-8 2.5 x 10-7

750

Total Estimated Exposure (mg/kg bw/day)


Based on U.S. 10th %tile stream modeling (conservative, indirect) and U.S. total dermal, inhalation, and oral modeling

80.06

750

1NOAEL based on a NOAEL of 7500 mg/kg bw/day with a 10X conversion factor (HERA 2002). 2Format C, Modeling Evaluation #1 3Format C, Modeling Evaluation #2 4Format C, Modeling Evaluation #4 5Format C, Modeling Evaluation #5

III. Production, Import and Use (1) Estimated Volumes (tonnes/yr): U.S. – 952,500 (2001 data; consistent with USEPA 2002 IUR) Europe – 648,982 (2011 data)

(2) Function/Product Use Categories:

Aliphatic acids and their salts (soap) are widely used in household cleaning products, cosmetics, lubricants (and other miscellaneous industrial applications) and coatings. Uses in household cleaning products, the focus of the HERA Assessment (2003), include fabric washing products, fabric conditioners, laundry additives, and surface and toilet cleaners.


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IV. Activities, Releases and Exposures – Factors that Mitigate or Exacerbate Exposures

(1) Manufacture

(a) Process Description: Aliphatic acids are produced from plant and animal fats and oils (triglycerides). In the currently used production process (APAG 2009), hydrolysis is the basic production step; the fats and oils are split into crude glycerine and a mixture of crude fatty acids, under the combined action of water, temperature and pressure. The temperature exceeds 200°C and the products are kept under pressure for more than 20 minutes. Distillation is used to purify the crude fatty acids under vacuum. Hydrogenation increases the melting point of the fatty acids. Hydrogenation is the conversion of unsaturated acids into saturated acids. Separation of fatty acids yields a liquid fraction (unsaturated acids, mainly oleic acids) and a solid fraction (saturated acids, mainly stearic acids). Fractional distillation is used to separate a mixture of fatty acids into fatty acids of a more specific chain length. Aliphatic acid salts are produced by neutralizing with the appropriate base.

Dicarboxylic acids are derived from mono- or polyunsaturated aliphatic acids by reaction of the double bonds with ozone (ozonolysis). The resulting cleavage products are mixtures of mono- and dicarboxylic acids which can be further fractionated to yield pure dicarboxylic acids and short-chain monocarboxylic acids.

In the older production process (Noller 1966), the melted fat and a solution of sodium hydroxide are run simultaneous into a large tank with a conical bottom and boiled by steam in both open and closed coils in the bottom of the tank. When saponification is complete, the soap is precipitated by the addition of salt. The soap is then washed by re-solution and re-precipitation.

(b) General Description of Potential Releases and Exposures: Exposures: For facilities with partially closed processing, unheated, pumped solutions are manually packaged into drums. It takes approximately 30 hours and is done 6 times per year. Releases: Potential releases to the environment include some stack emissions; discharge to wastewater treatment systems and to landfills. Daily release to wastewater treatment is estimated at 0.15% (USEPA default process loss) of annual volume of chemical produced at typical U.S. facility. Exposures: Estimated receiving water exposures and indirect human exposures from manufacturing releases in the U.S. are provided in Format C, Modeling Evaluation #1. Workplace occupational exposures are possible as a result of dermal contact and/or inhalation and ingestion of dust, but are mitigated following the steps outlined in Format A, IV(1)(c) (below).


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(c) Discussion of Factors that Decrease or Increase Releases and Exposures: Some aliphatic acids are water soluble (mg/L) and all have very low volatility (<0.1hPa at 25°C). They are effectively removed in biological wastewater treatment (~99%), are rapidly biodegraded (>60% in ≤28 days), and their bioaccumulation potential is low (BCF approximately 3, estimated). These characteristics reduce environmental exposure. For Europe: For facilities with partially closed processing, there is general and point source ventilation; workers wear goggles, protective clothing, and gloves (acid resistant). For facilities with closed processing, there is exhaust ventilation; workers wear overalls, eye protection, protective footwear and rubber gloves. For U.S.: Environmental releases are regulated as part of overall facility emissions. Mitigation includes using good manufacturing practices, best available technology and engineering controls. As a result of engineering controls (e.g., exhaust ventilation systems and dust collection) and personal protective equipment (e.g., protective clothing, eyewear and gloves) that would normally be in place at facilities that manufacture liquid and granular materials and/or that formulate products with aliphatic acids, the exposure incidental to aliphatic acids is decreased. No special engineering controls or additional personal protective equipment are specified for aliphatic acids. MSDS information and product labels for the aliphatic acids themselves instruct persons to avoid contact with skin and eyes and to wear eye protection and gloves when handling. (d) Remarks:


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(2) Formulation

(a) Volumes: Essentially all the production volume of aliphatic acids is going into product formulation as either an acid or an acid derivative.

(b) Process Description: Depending upon the amount of formulated product and level of aliphatic acid, aliphatic acids can be received in a variety of ways, from drums to truck trailers to rail cars. Mixed and long-chain acids have traditionally been made in steel drums or steel tank cars, because the pick-up of iron during the shipping period is inconsequential in many uses. However, where product quality is likely to be affected or color is critical, drums and tank cars must be resin-lined and of non-corrosive metal construction.

In Europe, liquid products are formulated by decanting, pumping or direct manual addition. For example, hand pumping from 200 L drums into 25 L pails which are then sealed until required for formulation. Packing processes include: gravity filling by weight into packs ranging from 10-1000 L; hydraulic filling of small packs by volume; semi-manual decanting through a hose with tap and dip-leg; semi-automated dosing; and pump through filling lines to bulk storage tanks. No heating is involved at any stage. For granular product, there is a partially closed process where bags containing the pellet form are cut open and added to a tank via a manhole. Addition time is 10 minutes, total mix time is 8 hours, with approximately 5 batches per year. This is a heated process (60-65 ◦C). Samples are collected with a scoop and there are both automated and manual packing processes.

In the U.S., for liquid dish or laundry cleaning products, aliphatic acids are received in trailers, rail cars or tankers and pumped into heated storage tanks (32-50◦C) to prevent salt precipitation. Dish or laundry products can be produced in a continuous liquids process (CLP) or batch processes that consist of pipes, mixing tanks, mixers, pumps, heat exchangers, fillers and packaging equipment. The aliphatic acids are added to the formulation by controlled flow in-line injection or pumping (batch). The CLP is a completely closed system. The batch system is partially closed.

(c) General Description of Potential Releases and Exposures: Product formulation, the blending of aliphatic acids with other ingredients, is not expected to result in releases or workplace, environmental, or indirect human exposures that exceed those for aliphatic acid production facilities. Further, worker exposures are mitigated through the use of protective measures/equipment in the workplace. As such, these formulation exposures are not modeled. (d) Discussion of Factors that Decrease or Increase Releases and Exposures: For Europe: As described in Format A, IV(1)(c). For U.S.: As described in Format A, IV(1)(c). (e) Remarks:


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(3) Commercial/Occupational (or Industrial) Use

(a) Volumes: In Europe, the main application for the 948,982 metric tonnes of aliphatic acids is for detergent applications. In U.S., the main application is in detergents. Nearly 20% of the 952,500 metric tonnes of aliphatic acids produced are further derivatized. Nearly 30% of the aliphatic acids produced in the U.S. are used in paints and varnishes, lubricants, resins and plastics and rubber material. (b) Process Description: Hydrolysis is the basic production step; the fats and oils are split into crude glycerine and a mixture of crude fatty acids, under the combined action of water, temperature, and pressure. The temperature exceeds 20C and the products are kept under pressure for more than 20 minutes. Distillation is used to purify the crude fatty acids under vacuum. Hydrogenation increases the melting point of the fatty acids. Hydrogenation is the conversion of unsaturated acids into saturated acids. Separation on fatty acids yields a liquid fraction (unsaturated acids, mainly oleic acids) and a solid fraction (saturated acids, mainly stearic acids). Fractional distillation is used to separate a mixture of fatty acids into fatty acids of a more specific chain length. (c) General Description of Potential Releases and Exposures: (i) Releases: Environmental release from down-the-drain discharges following commercial/occupational/industrial product use. (ii) Exposures: Receiving waters may be exposed to aliphatic acids following wastewater treatment. Dermal exposure may occur with commercial/professional product use. Exposure from incidental/ accidental ingestion, inhalation, and/or eye contact is expected to be less than for dermal contact. (d) Discussion of Factors that Decrease or Increase Releases and Exposures: Some aliphatic acids are water soluble and all have very low volatility (vp <0.1 hPa at 25°C). They are effectively removed in biological wastewater treatment (~99%), are rapidly biodegraded (>60% in ≤28 days), and their bioaccumulation potential is low (BCF approximately 3, estimated). These characteristics reduce environmental exposure. Human exposure via inhalation is likely minimal due to low volatility of aliphatic acids. Similar to manufacturing and formulation, exposures of workers engaged in commercial/occupational (industrial) uses of aliphatic acids are mitigated through the use of protective measures and equipment in the workplace. (e) Remarks: Due to workplace protective measures/equipment, human exposures are not modeled separately for commercial/occupational (industrial) uses in this evaluation. Down-the-drain releases from commercial/occupational uses (and subsequent environmental and indirect human exposures) also are not modeled.


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(4) Consumer Use

(a) Function/ Product Use Description: Aliphatic acids are expected to have wide spread and dispersive uses in the following consumer products: Product Type Concentration in Products in

U.S. (% Range)1 Concentration in Products in

Europe (% Range)2 Laundry Detergents - Powders - Liquids

0.1-0.5 1-10

0.9-1.375

Hard surface cleaners including dilutable forms

0.01-5 0.1-0.9

Machine dishwashing rinse aids 1-5 41-5.5 Hand dishwashing liquid detergents

1-5 1.2-5.5

Body Washes 0.1-0.5 N/A Shampoo 1-5 0.4-0.8 Hair Conditioner 1-5 N/A Face and Hand soap (liquid) 10-15 N/A Toilet treatments N/A 0.2 Solvent Hand Cleaner N/A 0.8 Carpet Cleaners N/A 1 Optical Brightener product N/A 3

1All sponsored substances included for uses in the U.S. 2Based on HERA data on a subset of aliphatic acid salts (see Format A, II(1)(b) for CAS numbers). N/A: Not available. The concentration (%) in products shown above is in the formulated product and does not take into account any dilution prior to or during use. (b) General Description of Direct Exposures to Private (Consumer) Products and of Potential Releases to the Environment Leading to Ecological Exposures and Indirect Human Exposures: (i) Releases: Environmental release from down-the-drain discharges following consumer product use. (ii) Exposures: Receiving waters may be exposed to aliphatic acids following wastewater treatment. Exposure estimates from environmental release as a result of consumer use of products are presented in Format C, Modeling Evaluations #2 (U.S., aquatic life and indirect human) and #3 (Europe, aquatic life). The personal care products are applied as is, typically diluted during use and then rinsed off. Dermal contact does occur with personal care products and may occur with laundry and/or cleaning products. There is some potential for incidental / accidental ingestion of, inhalation of, and/or eye contact with product during handling and use. Laundry and cleaning products may be used as is, or diluted prior to or during use. Exposure estimates for European consumer use of common cleaning products are presented in Format C, Modeling Evaluation #4.


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(c) Discussion of Factors that Decrease or Increase Releases and Exposures: Some aliphatic acids are water soluble and all have very low volatility (vp <0.1 hPa at 25°C). They are effectively removed in biological wastewater treatment (~99%), are rapidly biodegraded (>60% in ≤28 days), and their bioaccumulation potential is low (BCF approximately 3, estimated). Based on physico-chemical properties, the potential for bioaccumulation in aquatic organisms is low. These characteristics reduce environmental exposure. Human exposure as a result of using laundry/cleaning products and personal care products is decreased by following use/precaution instructions on product labels. Product labels are written to reflect the entire range of chemical components in any given product. Laundry and cleaning products might include eye and skin irritancy cautionary and first aid information (e.g., to rinse thoroughly if exposed). Low volatility minimizes the potential for inhalation. Human exposure as a result of using personal care products will be reduced for those that are washed/rinsed off. Exposures may increase by frequent and concurrent use of one or more consumer products. (d) Remarks : Direct oral exposures are not modeled in this evaluation since these would only occur via accidental ingestion. None of the cleaning or personal care uses of aliphatic acids are in products intended for human consumption. Potential oral indirect exposure via drinking water and fish ingestion following environmental release as a result of consumer use of products are included in Format C: Modeling Evaluation #2 (U.S.) and #3 (Europe). Also not modeled is indirect oral exposure from deposition on dishes washed with products containing aliphatic acids. Due to the use of dilute solutions of dishwashing products and the rinsing/draining of dishes following the wash, exposure from this source is considered to be insignificant compared to the direct, dermal exposures that are modeled. A few products with very low aliphatic acid concentrations and/or products that are infrequently used are not modeled (e.g., toilet treatment, hair dying treatments). Potential exposures from these products are considered negligible compared to the products that are modeled.


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Format B: Monitoring Evaluation #1 Monitoring Aliphatic Acid Salts (Soaps) Fate in Spain

I. Identification Information

(1) Study Title: Biodegradation of soaps in anaerobic digestors and on sludge amended soils (2) Activity Associated with Monitoring Information: Prats et al. (1996) monitored the fate of fatty acid salts (soaps) in a discharge from a small town in southern Spain. Solids and aqueous samples were taken and analysed. Aqueous samples were collected from the sewer and treated effluent. Solid samples were collected from sewer, influent to and effluent from the sewage treatment plant (STP) and the anaerobic digestor. Analysis of aqueous samples established concentrations <0.1 ppm in all cases. This was interpreted as being due to low solubility. On suspended solids, however, soap concentrations were high and in some cases represented 15% of the total sample weight. Overall removal of aliphatic acid salts from the water stream during the treatment process was calculated as 99.7%. Results from analysis of samples taken from influent and effluent samples of the primary settler indicated 51% removal of suspended solids with 74% elimination of soap. Results from analysis of samples taken from influent and effluent samples of the anaerobic digestor indicated that the soap concentration dropped from an influent concentration of 36 g/kg dry solids to an effluent concentration of 12g/kg dry solids. This equates to a removal of soap resulting from anaerobic biodegradation of approximately 70%. This value may be considered an underestimate of removal when considering other anaerobic removal data. It is recognized that fatty acids derived from the lysis of other fatty materials will contribute to the overall measurement. Since fatty acids are formed during the sewage treatment process, the reported and calculated percentage removal values for fatty acid salt can be considered very conservative estimate of elimination in sewage treatment plants. II. Monitoring Study Design

(1) Monitoring Study Objective and Scenario Description: Prats et al. (1996) monitored the fate of soap (fatty acid salts) in a discharge from a small town in southern Spain. Solids and aqueous samples were taken and analysed. Aqueous samples were collected from the sewer and treated effluent. Solid samples were collected from the sewer, influent to and effluent from the STW and the anaerobic digestor. III. Sampling and Analytical Methods

(1) Media Sampled: Solids and aqueous (2) Sampling: Unknown (3) Method/ Procedure: Unknown IV. Results and Reliability Description


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(1) Results: All aqueous samples contained aliphatic acid salt concentrations of <0.1 ppm. Overall removal aliphatic acid salts from the water stream during the treatment process was calculated at 99.7%. The average aliphatic acid salt concentration in the influent = 36 g/kg dry solids. The average concentration in effluent = 12 g/kg dry solids. Chain length distribution in raw sewage and in treated water with calculated overall removal from water resulting from settling, aerobic and direction to the anaerobic digestor. Chain length Raw sewage* Treated water* Removal through

all processes (%) % Mass (kg/day)# % Mass (kg/day)#

C12 6.3 47 7.0 0.17 99.6 C14 3.3 25 2.6 0.062 99.7 C16 27 200 28 0.67 99.7 C18(total)1 63 470 62 1.5 99.7

* values to 2 significant figures # values calculated from an influent value of 744 kg/day and final effluent concentration of 2.4 kg/day 1The gas chromatographic method for C18 salts determines the total concentration of C18 salts in the samples independent of its origin. (2) Reliability Rating: 2 (3) Remarks:


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Format C: Modeling Evaluation #1 Release and Human/Environmental Exposure from U.S. Production Facility


(1) Activity Associated with Modeling Information: U.S. manufacturing/production facility effluent discharge – Environmental exposure including both aquatic life and indirect human exposure II. Modeling Objective

(1) Modeling Study Objective: Screening level estimate of surface water concentration as well as aquatic life, drinking water and fish consumption exposures as a result of manufacturing/production facility effluent discharge. (2) Description of Modeled Scenario: Accounts for wastewater treatment, in-stream dilution and bioaccumulation potential. Daily process loss/release is estimated at 0.15% (USEPA default process loss) of annual volume of chemical produced. Daily release estimated for a hypothetical “largest” U.S. manufacturing facility and assumes 350 days of operation per year (15 days for annual maintenance). The modeled scenario is a general manufacturing release assessment with very high-end release assumptions (e.g., half the total U.S. production is from this single, hypothetical facility), not a site specific assessment with actual release data. Release from formulation processing is not expected to exceed that for production. III. Description of Model and Model Validation (1) Tool or Model: E-FAST2 (Exposure & Fate Assessment Screening Tool); Provides screening level estimates of the concentrations of chemicals released to the environment from industrial discharge. Designed to provide high-end to bounding estimates of exposure. Chemical-specific and facility-specific data or defaults can be used. Modeling conducted 2009. (2) Validation/ Peer Review: Standard model (USEPA 2007) used by USEPA Office of Pollution Prevention and Toxics in screening level assessments (3) Availability and Documentation: http://www.epa.gov/opptintr/exposure/pubs/efast.htm IV. Inputs, Outputs, and Quality Description (1) Media Modeled: Surface water, drinking water and edible fish tissue (2) Inputs: Pre-treatment release (process losses) per facility = 4,080 kg /day; estimated as follows: - 952,500 tonnes/yr = total annual production in the U.S. - 2721 tonnes/day = daily production assuming 350 days/year - 4.08 tonnes/day = daily process loss assuming 0.15% loss - based on survey conducted by ACI, no single facility produces more than half the total annual production. Therefore a conservative assumption is that the maximum daily process loss for a single facility is 2.04 tonnes/day or one-half the total daily process loss for the total U.S. production.

http://www.epa.gov/opptintr/exposure/pubs/efast.htm


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SIC Code is Soaps, Detergents, etc. Manufacture (2841-2844) Release days = 350 Wastewater treatment removal = 99% BCF estimate 3.162 based on log Kow <1.0 (based on BCFWIN model; USEPA 2009) PNEC = 27 µg/L (3) Model Outputs : Results following wastewater treatment. 50th Percentile Results (50%ile) — exposure calculations based on the median (i.e., 50th percentile) surface water concentrations and represent central tendency exposure. These flows are used to represent mid-sized stream flows. 10th Percentile Results — exposure calculations based on the high-end (i.e., upper 10th percentile) surface water concentrations and represent the bounding high-end exposures. These flows are used to represent small streams. 7Q10 Flow — 7 consecutive days of lowest flow over a 10-year period. These flows are used to calculate estimates of chronic surface water concentrations to compare with the concentrations of concern for aquatic life. Potential Lifetime Average Daily Dose (LADDpot) — from drinking water or ingestion of fish tissue; calculated to represent chronic exposures over a lifetime. These doses are generally used for cancer calculations. Aquatic life exposure - 50% ile facility - Mean stream concentration = 98.62 µg/L 7Q10 stream concentration = 477.19 µg/L 10% ile facility - Mean stream concentration = 861.67 µg/L 7Q10 stream concentration = 3,926.85 µg/L Drinking water exposure - 50% ile facility - LADDpot = 7.38 x10-4 mg/kg bw/day 10% ile facility - LADDpot = 6.44 x10-3 mg/kg bw/day Fish consumption exposure – 50% ile facility - LADDpot = 2.24 x10-4 mg/kg bw/day 10% ile facility - LADDpot = 1.96 x10-3 mg/kg bw/day


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(4) Reliability Rating: The reliability rating is 2 (reliable with restrictions). The model has not been validated but is sufficiently conservative and accepted by authorities. The modeling for aliphatic acids falls into the applicability domain of the model and appropriate (conservative) inputs were used. Modeling can be useful in first tier approach for exposure assessment. Model outputs reflect E-FAST2 model assumptions that are designed to provide estimates of exposure. (5) Remarks: The aquatic PNEC = 27 µg/L (van de Plassche et al., 1999). The estimated PEC range is 98.62 - 3926.85 µg/L, and reflects medium size stream with average flow to small stream with low (7Q10) flow. The most appropriate NOAEL for an oral exposure scenario is 750 mg/kg bw/day. The estimated LADDpot range is 7.38 C 10-4 - 6.44 x10-3 mg/kg bw/day for drinking water and 2.24 x 10-4 - 1.96 x10-3 mg/kg bw/day for fish consumption.


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Format C: Modeling Evaluation #2 Release and Human/Environmental Exposure from Consumer Use: U.S. Scenario


(1) Activity Associated with Modeling Information: U.S. wastewater treatment facility effluent discharge following consumer use and down-the-drain disposal; environmental exposure including both aquatic life and indirect human exposure. II. Modeling Objective

(1) Modeling Study Objective and Scenario Description: Screening level estimate of surface water concentration (including drinking water and fish consumption exposures) as a result of daily consumer usage of personal care and cleaning products. (2) Description of Modeled Scenario: Down-the-drain release of total U.S. annual production volume into total volume of U.S. municipal wastewater system. Accounts for wastewater treatment and in-stream dilution. Accounts for bioaccumulation potential. III. Description of Model and Model Validation (1) Tool or Model: E-FAST V2.0 (Exposure & Fate Assessment Screening Tool): Provides screening level estimates of the concentrations of chemicals released to the environment from consumer products. Designed to provide high-end to bounding estimates of exposure. Chemical specific data or defaults can be used. Modeling conducted 2010. (2) Validation/ Peer Review: Standard model (USEPA 2009) used by USEPA Office of Pollution Prevention and Toxics in screening level assessments (3) Availability and Documentation: www.epa.gov/oppt/exposure/docs/efast.htm IV. Inputs, Outputs, and Quality Description (1) Media Modeled: Surface water, drinking water and edible fish tissue (2) Inputs: Release = 952,500 tonnes/yr = annual U.S. production Wastewater treatment removal = 99% BCF estimate 3.162 PNEC = 27 µg/L (3) Model Outputs : Results following wastewater treatment.

http://www.epa.gov/oppt/exposure/docs/efast.htm


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50th Percentile Results (50%ile) — exposure calculations based on the median (i.e., 50th percentile) surface water concentrations and represent central tendency exposure. These flows are used to represent mid-sized stream flows. 10th Percentile Results — exposure calculations based on the high-end (i.e., upper 10th percentile) surface water concentrations and represent the bounding high-end exposures. These flows are used to represent small streams. 7Q10 Flow — 7 consecutive days of lowest flow over a 10-year period. These flows are used to calculate estimates of chronic surface water concentrations to compare with the concentrations of concern for aquatic life. Potential Lifetime Average Daily Dose (LADDpot) — from drinking water or ingestion of fish tissue; calculated to represent chronic exposures over a lifetime. These doses are generally used for cancer calculations. Aquatic life exposure - 50% ile - Mean stream concentration = 1.71 µg/L 7Q10 stream concentration = 9.54 µg/L 10% ile - Mean stream concentration = 29.08 µg/L 7Q10 stream concentration = 231.16 µg/L Drinking water exposure - 50% ile Res - LADDpot = 2.54 x 10-5 mg/kg bw/day 10% ile Res - LADDpot = 4.31 x10-4 mg/kg bw/day Fish consumption exposure – 50% ile Res - LADDpot = 3.44 x10-7 mg/kg bw/day 10% ile Res - LADDpot = 5.84 x10-6 mg/kg bw/day (4) Reliability Rating: The reliability rating is 2 (reliable with restrictions). The model has not been validated but is sufficiently conservative and accepted by authorities. The modeling for aliphatic acids falls into the applicability domain of the model and appropriate (conservative) inputs were used. Modeling can be useful in first tier approach for exposure assessment. Model outputs reflect E-FAST model assumptions that are designed to provide estimates of exposure. (5) Remarks: The aquatic PNEC = 27 µg/L (van de Plassche et al., 1999). The high-end to bounding PEC estimates range from 1.71 to 231.16 µg/L and include medium size stream with average flow to small stream with low (7Q10) flow. The high PECs represent unrealistic scenarios where all the U.S. manufacturing (representing all U.S. production volume) was done on one small stream during lowest flows.


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The most appropriate NOAEL for an oral exposure scenario is 750 mg/kg bw/day. The estimated range for drinking water exposures is 2.54 x 10-5 – 4.31 x 10-4 mg/kg bw/day. The range for fish consumption is 3.44 x 10-7 – 5.84 x 10-6 mg/kg bw/day.


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Format C: Modeling Evaluation #3 Release and Environmental Exposure from Consumer Use: Europe Scenario for Aliphatic

Acid Salts


(1) Activity Associated with Modeling Information: European wastewater treatment facility effluent discharge following consumer use of household cleaning products including fabric washing products, fabric conditioners, laundry additives, and surface and toilet cleaners. II. Modeling Objective

(1) Modeling Study Objective and Scenario Description: Screening level estimate (high-end) of surface water, soil, and sediment concentrations as a result of daily consumer usage of European household cleaning products containing aliphatic acid salts (soaps). Uses in household cleaning products, the scope of the assessment, include fabric washing products, fabric conditioners, laundry additives, and surface and toilet cleaners. These uses cover chain lengths of C10-22 predominantly with counterions of sodium and potassium. According to data received from a survey conducted among detergent formulator companies, an overall annual tonnage of 71306 tonnes from four of six of the major producers of aliphatic acid salts was estimated. A scaling factor of 1/0.8 = 1.25 is used as a final calculation of risk characterization ratios to convert these values into estimates for total use in household cleaning products. The data set for environmental fate includes standard biodegradation studies, some degradation in surface water studies and field monitoring data. Removal from wastewater was determined using measured monitoring data. PNEC values were determined for both aquatic and terrestrial receptors. The PNEC values for C10 and C12 were determined from measured toxicity data. For chain lengths >C12 all observed toxicity values were above the limit of solubility and were not used in PNEC derivation. In determining the PNECs for these chain lengths, assumptions were made based on the toxicity values for shorter more soluble chain lengths. The PNEC values for the longer chain lengths are likely to be conservative since the concentration of the soluble fraction will be lower than that at which toxicity would be observed. PNEC and PEC calculations are further complicated by the predominance of calcium and magnesium ions in waste water leading to rapid formation and predominance of relatively insoluble Ca and Mg salts that will not be bioavailable. (2) Description of Modeled Scenario: Down-the-drain release of European aliphatic acid salts. Accounts for wastewater treatment. III. Description of Model and Model Validation (1) Tool or Model: Simple calculation based on total dispersed use and removal estimate from wastewater treatment. (2) Validation/ Peer Review: Standard approach in screening level assessments (3) Availability and Documentation: Human & Environmental Risk Assessment (HERA) on ingredients of European household cleaning products: Fatty Aid Salts (Soap) Environmental Risk Assessment. 2003. Available at: http://www.heraproject.com/files/5-E-04-%20HERA%20Fatty%20acid%20salts%20Env%20web%20wd.pdf. IV. Inputs, Outputs, and Quality Description




168

(1) Media Modeled: Aqueous (2) Inputs: Release = 71306 tonnes/yr = annual European use; Wastewater treatment removal = >99%; Wide dispersive release over 365 days of the year. Scaling factor applied under outputs below. (3) Model Outputs: Chain length Aquatic PNEC (mg/L) C10 0.054 C12 0.02 C14 0.02 C16 0.02 C18 0.02 C22 0.02

PEC/PNEC Ratios (standard European Union System for the Evaluation of Substances (EUSES) removal scenario for calcium salts) PEC/PNEC Water Soil Sediment STP C10 0.0164 0.0175 0.0188 7.84E-04 C12 1.33 1.38 1.50 0.0238 C14 0.309 0.502 0.344 5.40E-03 C16 0.599 1.36 0.680 6.51E-03 C18 0.451 0.262 0.509 0.0135 C22 8.35E-04 3.18E-04 9.44E-04 3.70E-04 Total 2.70 3.51 3.05 0.0503

PEC/PNEC Ratios (realistic removal scenario for calcium salts and 1.25 scaling factor) PEC/PNEC Water Soil Sediment STP C10 1.45E-03 2.12E-04 1.66E-03 5.76E-05 C12 0.121 0.162 0.137 1.95E-03 C14 0.0433 0.0441 0.0489 6.19E-04 C16 0.0552 0.0176 0.0623 9.08E-04 C18 0.0719 3.36E-03 0.0811 1.67E-03 C22 1.26E-04 2.66E-06 1.41E-04 4.19E-05 Total 0.293 0.227 0.331 5.25E-03

PEC/PNEC Ratios (advanced removal scenario) for the total tonnage (assuming HERA chain length distribution) PEC/PNEC Water Soil Sediment STP C10 0.0143 2.08E-03 0.0163 5.66E-04 C12 1.19 1.59 1.34 0.0192 C14 0.426 0.433 0.481 6.09E-03 C16 0.543 0.173 0.612 8.93E-03 C18 0.707 0.0330 0.797 0.0164 C22 1.24E-03 2.61E-05 1.39E-03 4.12E-04 Total 2.88 2.23 3.25 0.0516

Chain length Terrestrial PNEC (mg/kg) C10 0.329 C12 0.644 C14 118 C16 49.5 C18 19.8 C22 0.806

(4) Reliability Rating: The reliability rating is 2 (reliable with restrictions). The model has not been validated but is sufficiently conservative and generally accepted by authorities.


169

(5) Remarks: The absence of environmental concerns can be shown for current use levels of aliphatic acid salts in the products described. With few exceptions, especially C12 PEC/PNEC ratios, the PEC/PNEC ratios are below 1 for all individual chain lengths. These ratios are considered conservative. To demonstrate this, higher tier exposure data were used. Removal in waste water treatment plants (WWTPs) was determined from removal values determined through studies using measured influent and effluent fatty acid salt concentrations. Effects data for chain lengths above C12 were all observed above the limit of solubility for the respective chain lengths. As such these values were not considered acceptable to derive a reliable measure for the PNEC. Such observed values can be considered artifacts of the study rather than a true representation of the inherent toxicity of the material. In the absence of more reliable data, the aquatic toxicity value for the C12 chain length has been used for the derivation of PNECs for all chain lengths above C12. This is approach is considered conservative since the longer chain lengths (greater than C12) would not be expected to exhibit an aquatic toxic effect in the environment due to their low solubility (particularly of the calcium salt). It is known that surfactants can be subject to high levels of in sewer removal (Matthijs et al. 1999) with removal values for some anionic surfactants (linear alkylbenzene sulfonate [LAS], alkyl sulfates [AS]) being in excess of 50%. Although data for fatty acid salts are currently unavailable, with measured degradation in sewage treatment plants being at least as high as LAS, a high level of fatty acid salt removal can be expected in sewer systems. The assessment for the aquatic compartment can be considered most reliable. The other compartments (terrestrial and sediment) are highly dependent on a number of assumptions. The quantification of the risks of these compartments are conservative but should be treated with some caution.


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Format C: Modeling Evaluation #4 Dermal and Inhalation Exposures from Consumer Uses of Products: European Model for

Aliphatic Acid Salts


(1) Activity Associated with Modeling Information: Human dermal and inhalation exposures from use of laundry/cleaning products. II. Modeling Objective (1) Modeling Study Objective: The objective of the dermal exposure model for consumer product uses is to estimate “screening” levels of human exposure (in daily dose, i.e. mg/kg bw/day) and compare to the most sensitive toxic endpoint (e.g. lowest NOEL/NOAEL) in order to assess exposure and risk potential. Exposure and risk estimations could then be subjected to further refinement as needed. Because of the conservative nature of the screening level assessment, when product uses are determined to be of low concern, no further evaluation would be conducted. (2) Description of Modeled Scenarios: Dermal and inhalation exposures to aliphatic acid salts (soaps) that are modeled include: Dermal Exposure during the activity/use of products -- Laundry detergent: hand washing clothes Laundry detergent: pre-treatment Toilet cleaners: cleaning Hard surface cleaners: cleaning Dermal Exposure from residuals on clothing – Laundry detergents on clothing following washing Inhalation Exposure from -- Pouring the powdered laundry detergent from the container into the machine/bowl Spray cleaners aerosolizing The exposure scenarios encompass conservative, screening-level assumptions including: the high-end frequency of product use, the high-end amount of product per use, the high-end percent of product retained on skin or clothes following use, and 1% dermal absorption. Direct oral exposures are not modeled in this evaluation since these would only occur via accidental ingestion. None of the uses of aliphatic acid salts are in products intended for human consumption. The CAS numbers modeled for are: 629-25-4, 143-18-0, 143-19-1, 822-16-2, 2272-11-9, 85408-69-1, 143-07-7, 90990-09-3, 67701-01-3, 67701-03-5, 67701-06-8, 85711-54-2, 68424-37-3. According to data received from a survey conducted among detergent formulator companies, an overall annual tonnage of 71306 tonnes of fatty (aliphatic) acid salts was estimated.


171

III. Description of Model and Model Validation

(1) Tool or Model: The modeling presented here uses simple, first principle equations, which, when combined with conservative (protective) input values err on the side of being protective.

Dermal Exposure

1. Exposure during hand washing laundry [FQ x CA x PC x FT x CF x TF x DA] x PF BW

2. Exposure during pre-treatment of clothes

[FQ x CA x PC x FT x CF x TF x DA] x PF BW

3. Exposure during toilet cleaning [FQ x CA x PC x FT x CF x TF x DA] x PF BW

4. Exposure during hard surface cleaning [FQ x CA x PC x FT x CF x TF x DA] x PF BW

5. Exposure to laundry product residual on clothing [FQ x CA x PC x FT x CF x TF x DA] x PF BW

F1

percentage (%) weight fraction of substance in product

C’ product load in [mg/cm2]

Sder

surface area of exposed skin [cm2]

n product use frequency [events/day]

F2

percentage (%) weight fraction transferred from medium to skin

F3

percentage (%) weight fraction remaining on skin

F4

percentage (%) weight fraction absorbed via skin

BW body weight in kg


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Inhalation Exposure

1. Inhalation exposure from pouring the product from the container into the machine/bowl EXP

sys = Dust generated by product x aliphatic acid concentration

/ BW x number of

washes

2. Inhalation exposure from aerosols generated by spray cleaners

Expsys

= F1

x C` x Qinh

x t x n x F7

x F8/ BW

F1

percentage weight fraction of substance in product

C` product concentration in air

Qinh

ventilation rate

t duration of exposure

n product use frequency (tasks per day)

F7

weight fraction of respirable particles

F8

weight fraction absorbed or bioavailable

BW body weight (2) Validation/ Peer Review: These exposure calculations use first principle equations and are mathematically consistent with EU Technical Guidance Document (1996) with regard to modeling dermal and inhalation doses. (3) Availability and Documentation: HERA 2002. Human & Environmental Risk Assessment on ingredients of European household cleaning products: fatty acid salts human risk assessment. http://www.heraproject.com/files/5-HH-04-HERA%20Fatty%20acid%20salts%20HH%20web%20wd.pdf. EU TGD (1996) Technical Guidance Document (Parts I-IV) in Support of Commission Directive 93/67/EEC on Risk Assessment for New Notified Substances and Commission Regulation (EC) No. 1488/94 on Risk Assessment for Existing Substances.

IV. Inputs, Outputs, and Quality Description

(1) Media Modeled: The exposure media are the aliphatic acid-containing products used by consumers. The European Soap and Detergent Industry Association (AISE, 2002) fielded a survey among producers and formulators to provide the range of aliphatic acid contained in each of the product forms. For each product category containing aliphatic acid salts, the minimum and maximum of the range was utilized as inputs for the dermal exposure models. The product formulations reported by Europe (also shown in Format A) are generally comparable; therefore, the human exposure estimates can be considered representative of uses in both countries. (2) Inputs:




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Laundry

Pre-treatment Laundry

Hand-wash Toilet Cleaners

Hard Surface

Cleaners FQ (use/day) 1 a 1 (liquid) a 2 d 2 d CA (cm2) 840 b 1980 e 1680 e 840 b PC (g/cm3) 0.6 a 0.01 a 0.0015 a 0.2 a

FT (cm) 0.01 c 0.01 c 0.01 c 0.01 c CF (1000mg/g) 1000 1000 1000 1000 TF (unitless) 0.007 a 0.007 a 0.03 a 0.014 a DA (%) f 1% 1% 1% 1% Female BW (kg) 60 d 60 d 60 d 60 d PF (%)a 2-20% (liquid)

0.1-10.5% (powder) 0.1-3.4%

(compact powder) 4-10% (compact

liquid) 0.7-2% (tablets)

13.1-15.1% (compact gels)

1% 2-20% (liquid)

0.55-1.9% (all forms)

0.1-3.0% (all forms)

References: a: HERA 2005 b: Hands surface area (EU Technical Guidance Document (EU TGD), Part I, Annex VI) c: EU Technical Guidance Document (EU TGD), Part I, Annex VI d: female body weight e: hands and forearms (EU Technical Guidance Document (EU TGD), Part I, Annex VI f: default assumption for ionic substances (Schaefer and Redelmeier, 1996)

1. Exposure during hand washing laundry

[FQ x CA x PC x FT x CF x TF x DA] x PF

BW

(1/24 day/hr x 30/60 hr) x 1980 cm2 x 0.01 cm x 0.01 x 2.0 mg/ml (cm3) 60 kg

= 1.4 x 10-4 mg/kg bw/day

2. Exposure during pre-treatment of clothes


840 cm2 x 0.01 cm x 0.01 x 200 mg/ml (cm3) x (10/60 hr) x 1/24 day/hr)

60 kg

= 2.0 x 10-3 mg/kg bw/day 3. Exposure during toilet cleaning


(2/24 day x 1/60 hr) x 1680 cm2 x 0.0015 cm x 0.01 x 1000x 0.03x 0.01x 0.6

60 kg


4. Exposure during hard surface cleaning


174


(2/24 day x 20/60 hr)840 cm2 x 0.2 cm x 0.01 x 1000 x 0.014 x 0.01x 1.2

60 kg


5. Exposure to laundry product residual on clothing

EXPsys

= F1

x C’ x Sder

x n x F2

x F3

x F4

/ BW F

1 percentage (%) weight fraction of substance in product: 20% (0.2)

C’ product load in [mg/cm2]: 1.34 x 10

-1 mg/cm

2*

Sder

surface area of exposed skin [cm2]: 17,600 cm

2 (excludes heads and hands)

n product use frequency [events/day]: 1 (not used)

F2

percentage (%) weight fraction transferred from medium to skin: 1% (Vermeire et al.1993)

F3

percentage (%) weight fraction remaining on skin: 100% (worst case assumption)

F4

percentage (%) weight fraction absorbed via skin: 1% (Schaefer and Redelmeier 1996)

BW body weight in kg: 60 kg * C’ was determined by multiplying the experimental value of the amount of fatty acids deposited on fabric after a typical wash (i.e. 13.4 g/kg) (Rodriguez et al., 1994) times an estimated value of the fabric density (FD = 10 mg/cm

2) (P&G unpublished internal data, 1996)

EXP

sys = 0.0 x (1.34x 10-1) x 17,600 x 0.01 x 1 x 0.01/60


Inhalation Exposure

1. Inhalation exposure from pouring the product from the container into the machine/bowl EXP

sys = Dust generated by product x aliphatic acid concentration x number of

washes Body weight

= 0.27 ug dust x 10% aliphatic acid salt concentration x 3 washes/day 60 kg

= 1.4 x 10 -6 mg/kg bw/day

2. Inhalation exposure from aerosols generated by spray cleaners


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Expsys

= F1

x C` x Qinh

x t x n x F7

x F8/ BW

F1

percentage weight fraction of substance in product 0.1% (worst case)

C` product concentration in air: 0.35 mg/m3 *

(P&G unpublished data)

Qinh

ventilation rate - 0.8 m3/h (EU TGD)

t duration of exposure - 10 min (0.17h) (AISE, 2002)

n product use frequency (tasks per day) - 1 (AISE, 2002)

F7

weight fraction of respirable particles - 100%

F8

weight fraction absorbed or bioavailable - 75%(EU TGD)

BW body weight 60 kg (EU TGD) * this value was obtained by experimental measurements of the concentration of aerosol particles smaller than 6.4 microns in size which are generated upon spraying with typical surface cleaning spray products [Note is the value of 6.4 microns acceptable; sometimes a cut-off value of 10 micron is used.

= (0.001) x (0.35 mg/m3) x (0.5 m3/hr) x (0.17 hr) x (0.75) 60 kg


(3) Model Outputs:

Route Exposure to aliphatic acid salts (mg/kg/day)

1. Dermal Hand laundry 1.4 x 10-4 Fabric pre-treatment 2.0 x 10-3 Toilet cleaner 7.6 x 10-6 Hard surface cleaner 2.0 x 10-3 Wearing laundered fabric 7.9 x 10-4 TOTAL DERMAL 4.9 x 10-3 2. Inhalation Pouring product 1.4 x 10-6 Spray cleaner 6.0 x 10-7 TOTAL INHALATION 2.0 x 10-6 TOTAL (ALL ROUTES) 4.9 x 10-3

(4) Reliability Rating: The reliability rating is 2 (reliable with restrictions). The model used first principal equations, which are sufficiently conservative, have undergone peer review and are generally accepted by authorities. The modeling for aliphatic acid salts in consumer products falls into the applicability domain of the model and appropriate (conservative) inputs were used. The model used is applicable for screening-level assessment. The selected model inputs reflect best available information and conservative estimates where applicable (i.e., high-end frequency of product use, high-end amount of product per use, and high-end percent of product retained).

(5) Remarks:


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Oral exposure was not modeled. Exposure from this source is insignificant compared to the dermal and inhalation exposures that are modeled. A few products with very low aliphatic acid concentrations and/or products that are infrequently used are not modeled (e.g., carpet cleaners). Potential exposures from these products are considered negligible compared to the products that are modeled. In the particular case of aliphatic acid salts, use of all the product categories by a single consumer is plausible. That is, an individual could be using laundry cleaning products, machine and/or hand dishwashing detergents, hard surface cleaners, and personal care products daily. A conservative estimate of aggregate daily exposure could therefore be achieved by a simple addition of the daily exposure estimates for each of the product categories.


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Format C: Modeling Evaluation #5 Dermal, Inhalation, and Oral Exposures from Consumer Uses of Products: U.S. Model for

Aliphatic Acids


(1) Activity Associated with Modeling Information: Human dermal, inhalation, and oral exposures from use of laundry/cleaning products and personal care products. II. Modeling Objective (1) Modeling Study Objective: The objective of the exposure models for consumer product uses is to estimate “screening” levels of human exposure (in daily dose, i.e. mg/kg bw/day) and compare to the most sensitive toxic endpoint (e.g. lowest NOEL/NOAEL) in order to assess exposure and risk potential. Exposure and risk estimations could then be subjected to further refinement as needed. Because of the conservative nature of the screening level assessment, when product uses are determined to be of low concern, no further evaluation would be conducted. (2) Description of Modeled Scenarios: Dermal and inhalation exposures to aliphatic acid that are modeled include: Dermal Exposure during the activity/use of products -- Laundry detergent: hand washing clothes Laundry detergent: pre-treatment Dish Detergent: hand-washing dishes Dish Detergent: washing hands Hard surface cleaners: dilutable and nondilutable Dermal Exposure after activity/use (residual) -- Adult rinse-off products: Body washes Shampoo Hair Conditioner Face and hand soap – liquid Dermal Exposure from residuals on clothing -- Laundry detergents on clothing following washing Inhalation Direct Exposure during use -- Laundry detergent - powders Oral Indirect exposure after use – Dish Detergents : hand-washing dishes The exposure scenarios encompass conservative, screening-level assumptions including: the high-end frequency of product use, the high-end amount of product per use, the high-end percent of product retained on skin or clothes following use, and 1% dermal absorption.


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According to data received from a survey conducted among detergent formulator companies, an overall annual tonnage of 952,500 of aliphatic acids was estimated.

III. Description of Model and Model Validation

(2) Tool or Model: The modeling presented here uses simple, first principle equations, which, when combined with conservative (protective) input values err on the side of being protective.

Dermal Exposure

1. Exposure during hand washing laundry, pre-treatment of clothes, hand wash dishes, dish detergent hand washing, and hard surface cleaning (dilutable and nondilutable):


BW

FQ: frequency of use (use/day)

CA: body surface contact area (cm2)

PC: product concentration (g/cm3)

FT: film thickness on skin (cm)

CF: conversion factor (1,000 mg/g)

TF: time scaling factor (unitless)

DA: dermal absorption (100%)

BW: female body weight (60 kg)

PF: percent aliphatic acids in product (%)

2. Exposure after activity or use of adult rinse products: body washes, shampoo, hair

conditioner, face and hand soap (liquid):

[FQ x A x PR x CF x DA] x PF BW

FQ: frequency of use (use/day)

A: amount used (g/use)

PR: percent retained (%)






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3. Exposure to laundry product residual on clothing:

[A x PR x PT x CF x TF x DA] x PF BW


PR: percent retained (%)

PT: % transferred from clothing to skin





Inhalation Exposure

1. Exposure during use (powder laundry detergent):

[FQ x A x F] x PF

BW

FQ: frequency (use/day)


F: respirable fraction (%)



Oral Exposure

1. Indirect exposure (hand-wash dishes):

[C’ x Ta’ x Sa x CF] x PF

BW

C’: product concentration (mg/cm3)

Ta’: amount of water on dish after rinse (mL/cm2)

Sa: area of dish contacting food (cm2/day)

CF: conversion factor (1 cm3 water/1 mL water)



(2) Validation/ Peer Review: These exposure calculations use first principle equations and are mathematically consistent with EU Technical Guidance Document (1996) with regard to modeling dermal and inhalation doses. (3) Availability and Documentation: ACI 2010. Consumer Product Ingredient Safety. http://www.aciscience.org/Portals/0/docs/Consumer_Product_Ingredient_Safety_v2.0.pdf

http://www.aciscience.org/Portals/0/docs/Consumer_Product_Ingredient_Safety_v2.0.pdf


180

EU TGD (1996) Technical Guidance Document (Parts I-IV) in Support of Commission Directive 93/67/EEC on Risk Assessment for New Notified Substances and Commission Regulation (EC) No. 1488/94 on Risk Assessment for Existing Substances.

IV. Inputs, Outputs, and Quality Description

(1) Media Modeled: The exposure media are the aliphatic acid-containing products used by consumers. The Soap and Detergent Association (SDA, 2002) fielded a survey among producers and formulators to provide the range of aliphatic acids contained in each of the product forms. For each product category containing aliphatic acids, the minimum and maximum of the range was utilized as inputs for the exposure models. (2) Inputs:

Dermal (direct) Laundry

Hand-wash Laundry Pre-treat

Dish Hand-wash

Dish detergent – wash hands

Hard Surface Cleaner

FQ (use/day) 1b 1 (liquid)b 1.0-3.0b,c 0.1-0.14c 0.14-1b CA (cm2) 1680d 360e 1680d 1680d 1680d PC (g/cm3) 0.1f 1f 0.0015f 0.9c 1f FT (cm)c 0.0024 0.0024 0.0024 0.0024 0.0024 CF (1000 mg/g)

1000 1000 1000 1000 1000

TF (unitless) 0.007g 0.007g 0.03g 0.00035b 0.014g DA (%) 100 100 100 100 100 BW (kg)a 60 60 60 60 60 PF (%)b 1-10%

(liquid) 0.1-0.5% (powder)

1-10% (liquid)

1-5% (all forms)

0.1-3.0% (all forms)

0.01-5%

References: a: U.S. EPA, 1997 and 2001 (OPP Residential SOPs) b: SDA 2002 c: American Industrial Health Council (AIHC) alkyldimethylamine oxide assessment: internal data d: AIHC alkyldimethylamine oxide assessment: hands and forearms e: U.S. EPA’s Exposure Factors Handbook, 1997: both palms (average female) – SDA 2/03 resolution f: PC (%) was changed to PC (g/cm3); where (X g product/100 g water) x (1 g water/1 cm3 water) g: HERA 2005

1. Exposure during hand washing laundry:


BW

[1 x 1680 x 0.1 x 0.0024 x 1000 x 0.007 x 1] x 0.1 60 kg


2. Exposure during pre-treatment of clothes:


1 x 360 x 1 x 0.0024 x 1000 x 0.007 x 1 x 0.1


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60 kg

= 1.0 x 10-2 mg/kg bw/day 3. Exposure during dish hand-wash:


3 x 1680 x 0.0015 x 0.0024 x 1000 x 0.03 x 1 x 0.5

60 kg


4. Exposure during dish detergent – wash hands:


0.14 x 1680 x 0.9 x 0.0024 x 1000 x 0.00035 x 1 x 0.03

60 kg


5. Exposure during hard surface cleaning:


1 x 1680 x 1 x 0.0024 x 1000 x 0.014 x 1 x 0.05

60 kg


Dermal (direct) Body

Washes Shampoo Hair

conditioner

Liquid Face and Hand

Soap (hand) FQ (use/day) 1a 1b 1b 5.0-8.0a A (g/use) 8-12a 5-16.4b,c 7-12.7a,b 1.6-1.7a PR (%) 0.5-1a,d 0.5-1a,e 0.5-1a,e 0.5-1a,d

CF (1000 mg/g) 1000 1000 1000 1000 DA (%) 100 100 100 100 BW (kg)f 60 60 60 60 PF (%)a 0.1-0.5 1-5%

1-5% 10-15%

References: a: SDA data b: U.S. EPA, 1997 c: American Industrial Health Council (AIHC) alkyldimethylamine oxide assessment: internal data d: Based on Cosmetic, Toiletry and Fragrance Association (CTFA)-Safety Regulatory Toxicology Subcommittee (SRTC) comments on SDA Exposure Assessment Methodology, April 2003 e: AIHC/K.S. Crump Group, 1999 (D4 Assessment) f: EFH: both palms (average female) – SDA 2/03 resolution


182

1. Exposure from body washes:


[1 x 12 x 1 x 1000 x 1] x 0.005

60 kg

= 1 mg/kg bw/day

2. Exposure from shampoo:


[1 x 16.4 x 1 x 1000 x 1] x 0.05

60 kg

= 14 mg/kg bw/day

3. Exposure from hair conditioner:


[1 x 12.7 x 1 x 1000 x 1] x 0.05

60 kg

= 11 mg/kg bw/day

4. Exposure from hand washes:


[8 x 1.7 x 1 x 1000 x 1] x 0.15

60 kg

= 34 mg/kg bw/day

Dermal (indirect) Laundry

Products A (g/use) 8-12 PR (%) 0.1-1 PT (%) 1 CF (1000 mg/g) 1000 DA (%) 100 BW (kg) 60 PF (%)a 1-10%


References: a: SDA data


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b: U.S. EPA, 1997 c: American Industrial Health Council (AIHC) alkyldimethylamine oxide assessment: internal data d: Based on Cosmetic, Toiletry and Fragrance Association (CTFA)-Safety Regulatory Toxicology Subcommittee (SRTC) comments on SDA Exposure Assessment Methodology, April 2003 e: AIHC/K.S. Crump Group, 1999 (D4 Assessment) f: EFH: both palms (average female – SDA 2/03 resolution

1. Exposure to laundry product residual on clothing:

[A x PR x PT x CF x TF x DA] x PF BW

[12 x 1 x 1000 x 1] x 0.1

60 kg

= 20 mg/kg bw/day

Inhalation Exposure Laundry

Products FQ (use/day) 0.14-1 A (g/use) 2.7 x 10-7 F (%) 100 BW (kg)f 60 PF (%) 1-10%


References: a: SDA data b: U.S. EPA, 1997 c: American Industrial Health Council (AIHC) alkyldimethylamine oxide assessment: internal data d: Based on Cosmetic, Toiletry and Fragrance Association (CTFA)-Safety Regulatory Toxicology Subcommittee (SRTC) comments on SDA Exposure Assessment Methodology, April 2003 e: AIHC/K.S. Crump Group, 1999 (D4 Assessment) f: EFH: both palms (average female – SDA 2/03 resolution

1. Exposure during use (powder laundry detergent):

[FQ x A x F] x PF BW

1 x (2.7x10-7) x 100 x 0.1

60


Oral Exposure

Laundry Products

C’ (mg/cm3) 0.001a Ta’ (mL/cm2) 5.5 x 10-5b Sa (cm2/day) 5400c


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CF (1 cm3 water/1 mL water) CF BW (kg) 60d PF (%) 1-5% (all

forms)e References:

a: SDA data b: U.S. EPA, 1997 c: American Industrial Health Council (AIHC) alkyldimethylamine oxide assessment: internal data d: Based on Cosmetic, Toiletry and Fragrance Association (CTFA)-Safety Regulatory Toxicology Subcommittee (SRTC) comments on SDA Exposure Assessment Methodology, April 2003 e: AIHC/K.S. Crump Group, 1999 (D4 Assessment) f: EFH: both palms (average female – SDA 2/03 resolution

1. Indirect exposure (hand-wash dishes):

[C’ x Ta’ x Sa x CF] x PF

BW

0.001 x (5.5 x 10-5) x 5400 x 1 x 0.05 60


(3) Model Outputs:

Route Exposure to aliphatic acids (mg/kg bw/day)

1. Dermal Hand wash laundry 4.7 x 10-3 Pre-treatment 1.0 x 10-2 Dish hand wash 4.5 x 10-4 Dish detergent hand washing 8.9 x 10-5 Hard surface cleaning 4.7 x 10-2 Body Washes 1 Shampoo 14 Hair Conditioner 11 Hand and Face Soap (liquid) 34 Laundry residue 20 TOTAL DERMAL 80.06 2. Inhalation Pouring product 4.5 x 10-8 3. Oral Indirect hand wash dishes 2.5 x 10-7 TOTAL (ALL ROUTES) 80.06

(4) Reliability Rating: The reliability rating is 2 (reliable with restrictions). The model used first principal equations, which are sufficiently conservative, have undergone peer review and are generally accepted by authorities. The modeling for aliphatic acids in consumer products falls into the applicability domain of the model and appropriate (conservative) inputs were used. The models used are applicable for screening-level assessment. The selected model inputs reflect best available information and conservative estimates where applicable (i.e., high-end frequency of product use, high-end amount of product per use, and high-end percent of product retained).


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(5) Remarks: A few products with very low aliphatic acid concentrations and/or products that are infrequently used are not modeled (e.g., carpet cleaners). Potential exposures from these products are considered negligible compared to the products that are modeled. In the particular case of aliphatic acids, use of all the product categories by a single consumer is plausible. That is, an individual could be using laundry cleaning products, machine and/or hand dishwashing detergents, hard surface cleaners, and personal care products daily. A conservative estimate of aggregate daily exposure could therefore be achieved by a simple addition of the daily exposure estimates for each of the product categories.


186

Appendix 2: References

ACI. 2010. Consumer Product Ingredient Safety: Exposure and Risk Screening Methods for Consumer Product Ingredients, 2nd Edition. http://www.aciscience.org/Portals/0/docs/Consumer_Product_Ingredient_Safety_v2.0.pdf AISE Human & Environmental Risk Assessment. 2002. Table of Habits and Practices for Consumer Products in Western Europe. Developed within the HERA project using consolidated company data. Aliphatic acid Category robust study summaries include physico-chemical, treatment plant removal and aquatic toxicity data. Aliphatic acids Survey. 2002. Survey of production, use and exposure information provided by the member companies of the Aliphatic acids Consortium and the SDA HPV Task Force. American Industrial Health Council (AIHC). 2000. Exposure Assessment Program Team Expousre Initiative: Appendix 2: Amine oxides case study aggregate human exposure assessment case example – alkyldimethylamine oxide.

APAG. 2009. Production of fatty acids & glycerine starting from vegetable & animal oils and fats. European Oleochemicals and Allied Products Group. http://www.apag.org/oleo/index.htm.

Cosmetic, Toiletry, & Fragrance Association. 2003. Safety Regulatory Toxicology Subcommittee (SRTC) Peer Review and Comments on SDA’s HPV Exposure Methodology. Cowan, CE, DJ Versteeg, RL Larson and P Kloepper-Sams. 1995. Integrated approach for environmental assessment of new and existing chemicals. Regulatory Toxicol. Pharmacol. 21:3-31 European Union (EU). 1996. Technical Guidance Document (Parts I-IV) in Support of Commission Directive 93/67/EEC on Risk Assessment for New Notified Substances and Commission Regulation (EC) No. 1488/94 on Risk Assessment for Existing Substances. European Union (EU). 2003. Technical Guidance Document on Risk Assessment in Support of Commission Directive 93/67/EEC on Risk Assessment for new notified substances. 337 pp. Food and Nutrition Board. 2005. Dietary reference intakes for energy, carbohydrate, fiber, fat, fatty acids, cholesterol, protein, and amino acids (macronutrients) National Academy Press; Washington (DC). 1357 pp. HERA. 2002. Human & Environmental Risk Assessment on Ingredients of Household Cleaning Products: Fatty Acids Salts Human Health Risk Assessment. http://www.heraproject.com/files/5-HH-04-HERA%20Fatty%20acid%20salts%20HH%20web%20wd.pdf HERA. 2003. Human & Environmental Risk Assessment on ingredients of European household cleaning products: Fatty Acid Salts (Soap) Environmental Risk Assessment. http://www.heraproject.com/files/5-E-04-%20HERA%20Fatty%20acid%20salts%20Env%20web%20wd.pdf HERA. 2005. HERA Guidance Document. http://www.heraproject.com/files/HERA%20TGD%20February%202005.pdf Mackay, D, A DiGuardo, S Peterson and C Cowan. 1996. Evaluating the Environmental Fate of a Variety of Types of Chemicals Using the EQC Model. Environ. Toxicol.Chem. (15)9: 1627-1637.

http://www.aciscience.org/Portals/0/docs/Consumer_Product_Ingredient_Safety_v2.0.pdf

http://www.apag.org/oleo/index.htm




http://www.heraproject.com/files/HERA%20TGD%20February%202005.pdf


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Matthijs, E., Holt, M.S., Kiewist, A. and Rijs, G.B. 1999. Environmental monitoring for LAS, AE, AES, AS, and soap. Environ. Toxicol. Chem. 18:2634-2644. Noller, C.R. 1966. Textbook of Organic Chemistry. W.B. Saunders Company, p. 190.

OECD. 2003. Manual for Investigation of HPV Chemicals. http://www.oecd.org/document/7/0,2340,en_2649_34379_1947463_1_1_1_1,00.htmlhttp://www.oecd.org/document/7/0,2340,en_2649_34379_1947463_1_1_1_1,00.html Prats D., Rodriguez M., Varo P., Moreno A., Ferrer J. 1996. Biodegradation of soaps in anaerobic digestors and on sludge amended soils. Proceedings of the 4th world surfactants congress, Barcelona, 3-7VI : 233-245. CESIO. Rice, DP. 1977. The absorption, tissue distribution, and excretion of dodecyldimethylamine oxide (DDAO) in selected animal species and the absorption and excretion of DDAO in man. Toxicol Appl Pharmacol. 39:377-389. Rodriguez, C., Calvin, G., Lally, C., LaChapelle, J.M. 1994. Skin effects associated with wearing fabrics washed with commercial laundry detergents. J. Toxicol. – Cut. & Occular Toxicol. 13(1): 39-45 Schaefer, H., T.E. Redemeier. 1996. Skin Barrier: Principles of Percutaneous Absorption. S. Karger AG. 310 pp. SDA. 2002. Habit and Practice Survey. Survey conducted by The Soap and Detergent Association and its member companies. USEPA. 1985. Methods of assessing exposure to chemical substances. Vol. 7, Versar. EPA 560/5-85-007. USEPA. 1987. Methods for assessing exposure to chemical substances. Volume 7. Methods for assessing consumer exposure to chemical substances. EPA/560/5-85-007. Washington, DC. USEPA 1992. Guidelines for Exposure Assessment. EPA/600/Z-92-001. Office of Research and Development, Office of Health and Environmental Assessment, Washington, DC USEPA. 1997, 2001. Standard operating procedures for Residential Exposures to Pesticides. USEPA. 1997. Exposure Factors Handbook. EPA/600/P-95/002F. Office of Research and Development: Washington, DC. USEPA 2007. E-FAST V2.0 model. Office of Pollution Prevention and Toxics. Washington, DC. http://www.epa.gov/opptintr/exposure/pubs/efast.htmhttp://www.epa.gov/opptintr/exposure/pubs/efast.htm USEPA 2009. BCFWIN model in EPI Suite. http://www.epa.gov/oppt/exposure/docs/episuitedl.htm Van de Plassche, E.J., De Bruijn, J.H.M., Stephenson, R.R., Marshall, S.J., Feijtel, T.C.J., Belanger, S.E. 1999. Predicted no-effect concentrations and risk characterization of four surfactants: linear alkyl benzene sulfonate, alcohol ethoxylates, alcohol ethoxylated sulfates, and soap. Environ Toxicol Chem (18)11: 2653-2663.

http://www.oecd.org/document/7/0,2340,en_2649_34379_1947463_1_1_1_1,00.html





http://www.epa.gov/oppt/exposure/docs/episuitedl.htm


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Appendix 2: Data Search Strategy

Consortium member companies contributed in-house studies of physical-chemical properties, environmental fate and transport, ecotoxicity, and mammalian toxicity for the chemicals in the Aliphatic Acids Category. To supplement these data, literature searches were conducted employing a strategy utilizing databases available from the U.S. Chemical Information Systems, the European International Uniform Chemical Information Database (IUCLID), and the Institute for Systems, Informatics and Safety (ISIS) Environmental Chemicals Data Information Network (ECDIN) databases. These databases include:

• Registry of Toxic Effects of Chemical Substances (RTECS) • Hazardous Substances Database (HSDB) • Aquatic Toxicity Information Retrieval (AQUIRE) • Toxic Substances Control Act Test Submissions (TSCATS) • Integrated Risk Information System (IRIS) • The Environmental Teratology Information Center (ETIC) • The Developmental and Reproductive Toxicology Database (DART) • The Catalog of Teratogenic Agents (CTA) • ENVIROFATE, DATALOG, AQUIRE, PHYOTOX and TERRATOX • Chemical Carcinogenesis Research Information (CCRIS) • The Environmental Mutagen Information Center (EMIC) • GENETOX • Sax’s Dangerous Properties of Industrial Materials • Agency for Toxic Substances and Disease Registry (ATSDR) Toxicological Profiles • International Uniform Chemical Information Database (IUCLID) • Environmental Chemical Data Information Network (ECDIN) • TOXLINE • www.chemfinder.com • standard scientific data compendia such as Verschueren (1996), CRC Handbook of

Chemistry and Physics and The Merck Index. CAS Registry numbers were used to match records available in each database. All reports identified were subject to a reliability check for determining adequacy in developing the Robust Summaries.

http://www.chemfinder.com/

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