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

Water solubility

Administrative data

Endpoint:

water solubility

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 water solubility was estimated using the computer-based atom fragment contribution method, WSKOWWIN, version 1.41a (September 2008), © 2000 U.S. Environmental Protection Agency.

Justification for type of information:

No determination was possible according to Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995, due to the following reason: As the test item was a complex reaction mixture and a viscous liquid, it was decided to attempt the flask method. However, it was noted that the final samples were cloudy/translucent/almost opaque, slightly yellow coloured solutions. Attempts were made to clean-up the samples using ultra-centrifugation (10000 rpm for 15 minutes), followed by filtration through a 0.2 µm Nylon filter. However, the final sample filtrates still contained a significant suspension of excess, undissolved test item. Consequently, as the filtrates were unsuitable for analysis, practical testing was abandoned. Therefore, the water solubility was estimated using the computer-based atom fragment contribution method, WSKOWWIN, version 1.41a (September 2008), © 2000 U.S. Environmental Protection Agency. Using the computer-based atom fragment contribution method, WSKOWWIN, version 1.41a (September 2008), © 2000 U.S. Environmental Protection Agency, the water solubility of the test item was estimated to be less than or equal to 2.4 x E-10 mg/l at 25°C.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2011

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Principles of method if other than guideline:

The water solubility was estimated using the computer-based atom fragment contribution method, WSKOWWIN, version 1.41a (September 2008), © 2000 U.S. Environmental Protection Agency

GLP compliance:

no

Type of method:

other: Calculation method

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 condition: room temperature in the dark

Results and discussion

Water solubility

Water solubility:

<= 2.4 other: x E-10 mg/l

Temp.:

25 °C

Remarks on result:

other: The water solubility was estimated using the computer-based atom fragment contribution method, WSKOWWIN, version 1.41a (September 2008), © 2000 U.S. Environmental Protection Agency.

Details on results:

The results are presented in the attached file "Appendix 1".

Applicant's summary and conclusion

Conclusions:

Interpretation of results: insoluble (< 0.1 mg/L)
Using the computer-based atom fragment contribution method, WSKOWWIN, version 1.41a (September 2008), © 2000 U.S. Environmental Protection Agency, the water solubility of the test item was estimated to be less than or equal to 2.4 x E-10 mg/l at 25°C.

Executive summary:

Method

No determination was possible according to Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995, due to the following reason:

• As the test item was a complex reaction mixture and a viscous liquid, it was decided to attempt the flask method. However, it was noted that the final samples were cloudy/translucent/almost opaque, slightly yellow coloured solutions. Attempts were made to clean-up the samples using ultra-centrifugation (10000 rpm for 15 minutes), followed by filtration through a 0.2 µm Nylon filter. However, the final sample filtrates still contained a significant suspension of excess, undissolved test item. Consequently, as the filtrates were unsuitable for analysis, practical testing was abandoned.

Therefore, the water solubility was estimated using the computer-based atom fragment contribution method, WSKOWWIN, version 1.41a (September 2008), © 2000 U.S. Environmental Protection Agency.

Conclusion

Using the computer-based atom fragment contribution method, WSKOWWIN, version 1.41a (September 2008), © 2000 U.S. Environmental Protection Agency, the water solubility of the test item was estimated to be less than or equal to 2.4 x 10^-10mg/l at 25°C.