Fatty acids, tall-oil, compds. with (Z)-N-9-octadecenyl-1,3-propanediamine (2:1)

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

Testing was conducted between 18 October 2010 and 17 December 2010.

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The hydrolytic stability was estimated using a computer-based atom fragment contribution method, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency.

Justification for type of information:

No determination was possible according to Method 111 of the OECD Guidelines for Testing of Chemicals, 13 April 2004, due to the following reasons: The test item is a complex reaction mixture. OECD Method 111 is not appropriate for complex reaction mixtures. The test needs to be carried out at a test item concentration of less than or equal to half the water solubility of the least water soluble component. However, the extremely low estimated water solubility of all of the components of the test item would make any testing extremely difficult. Therefore, the hydrolytic stability was estimated using the computer-based atom fragment contribution method, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency. Using the computer-based atom fragment contribution method, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency, the test item was estimated to be essentially stable towards hydrolysis.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2011

Report date:

2011

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 111 (Hydrolysis as a Function of pH)

Deviations:

no

Principles of method if other than guideline:

The hydrolytic stability was estimated using the computer-based atom fragment contribution method, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency.

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Additiv 309

IUPAC Name:

Additiv 309

Details on test material:

Sponsor's identification: Additiv 309
Description : Brown liquid
Batch number : 651098135
Purity : Technical:
Amine: >90% Oleylpropylenediamine(>98% Fatty acid diamine)
Water: max 0.5%
Distilled tall oil: >95% fatty acid
(ca. 5% unsaponifiables)
Date received : 03 September 2010
Expiry Date : 31 March 2012
Storage conditions: room temperature in the dark

Specific details on test material used for the study:

Details on properties of test surrogate or analogue material (migrated information):
Not Applicable

Radiolabelling:

no

Study design

Analytical monitoring:

no

Details on sampling:

Not Applicable

Buffers:

Not Applicable

Estimation method (if used):

The hydrolytic stability was estimated using the computer-based atom fragment contribution method, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency.

Details on test conditions:

Not Applicable

Number of replicates:

Not Applicable

Positive controls:

no

Negative controls:

no

Statistical methods:

Not Applicable

Results and discussion

Preliminary study:

Not Applicable

Test performance:

Not Applicable

Transformation products:

not specified

Details on hydrolysis and appearance of transformation product(s):

Not Applicable

Other kinetic parameters:

Not Applicable

Details on results:

The results are presented in the attached file "Appendix 3".

Applicant's summary and conclusion

Validity criteria fulfilled:

not applicable

Conclusions:

Using the computer-based atom fragment contribution method, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency, the test item was estimated to be essentially stable towards hydrolysis.

Executive summary:

Method

No determination was possible according to Method 111 of the OECD Guidelines for Testing of Chemicals, 13 April 2004, due to the following reasons:

• The test item is a complex reaction mixture. OECD Method 111 is not appropriate for complex reaction mixtures.
• The test needs to be carried out at a test item concentration of less than or equal to half the water solubility of the least water soluble component. However, the extremely low estimated water solubility of all of the components of the test item would make any testing extremely difficult.

Therefore, the hydrolytic stability was estimated using the computer-based atom fragment contribution method, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency.

The results are presented in Appendix 3 in attached section.

Discussion

The Sponsor indicated that the test item was a complex reaction mixture of tall oil acids, with (Z)-N-9-octadecenyl-1,3-propanediamine. Therefore, the conclusion given in Section 9.4 was based on the initial (1:1), primary amide reaction product of pimaric acid (the carboxylic acid group with the lowest estimated log₁₀P_ow) with the (Z)-N-9-octadecenyl-1,3-propanediamine.

Conclusion

Using the computer-based atom fragment contribution method, HYDROWIN, version 2.00 (September 2008), © 2000 U.S. Environmental Protection Agency, the test item was estimated to be essentially stable towards hydrolysis.