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

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

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 adsorption coefficient was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (February 2009), © 2000-2008 U.S. Environmental Protection Agency.

Justification for type of information:

No determination was possible according to Method 121 of the OECD Guidelines for Testing of Chemicals, due to the following reason: An assessment of the emulsification properties of the test item was carried out with the test item prepared in water saturated n-octanol and shaken with an equal amount of n-octanol saturated water. Observations during this test showed that the two immiscible phases emulsified easily; additionally, after 2½ hours standing, there were still three layers visible, the middle layer being a white emulsion.Surfactants are not suitable for determination by the HPLC method. Therefore, the adsorption coefficient was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (February 2009), © 2000-2008 U.S. Environmental Protection Agency. Using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (February 2009), © 2000-2008 U.S. Environmental Protection Agency, the adsorption coefficient (log10 Koc) of the test item was estimated to be greater than or equal to 10.0 (MCI method) and greater than or equal to 8.3 (Kow method).

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 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))

Deviations:

no

Principles of method if other than guideline:

The adsorption coefficient was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (February 2009), © 2000-2008 U.S. Environmental Protection Agency.

GLP compliance:

no

Type of method:

other: Estimated by calculation

Media:

other:

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

Test temperature:

Not Applicable

HPLC method

Details on study design: HPLC method:

Not Applicable

Batch equilibrium or other method

Analytical monitoring:

not specified

Details on matrix:

Not Applicable

Details on test conditions:

Not Applicable

Computational methods:

Not Applicable

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Type:

log Koc

Value:

>= 10

Remarks on result:

other: MCI method

Adsorption coefficient 2

Type:

log Koc

Value:

>= 8.3

Remarks on result:

other: Kow method

Results: HPLC method

Details on results (HPLC method):

Not Applicable

Results: Batch equilibrium or other method

Adsorption and desorption constants:

Not Applicable

Recovery of test material:

Not Applicable

Concentration of test substance at end of adsorption equilibration period:

Not Applicable

Concentration of test substance at end of desorption equilibration period:

Not Applicable

Transformation products:

not measured

Details on results (Batch equilibrium method):

Not Applicable

Statistics:

Not Applicable

Any other information on results incl. tables

The results are presented in the attached file "Appendix 4".

Applicant's summary and conclusion

Validity criteria fulfilled:

not specified

Conclusions:

Using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (February 2009), © 2000-2008 U.S. Environmental Protection Agency, the adsorption coefficient (log10 Koc) of the test item was estimated to be greater than or equal to 10.0 (MCI method) and greater than or equal to 8.3 (Kow method).

Executive summary:

Method

No determination was possible according to Method 121 of the OECD Guidelines for Testing of Chemicals, due to the following reason:

An assessment of the emulsification properties of the test item was carried out with the test item prepared in water saturated n-octanol and shaken with an equal amount of n-octanol saturated water. Observations during this test showed that the two immiscible phases emulsified easily; additionally, after 2½ hours standing, there were still three layers visible, the middle layer being a white emulsion.Surfactants are not suitable for determination by the HPLC method.

Therefore, the adsorption coefficient was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (February 2009), © 2000-2008 U.S. Environmental Protection Agency.

Discussion

The Sponsor indicated that the test item was a complex reaction mixture of tall oil fatty acids, with (Z)-N-9-octadecenyl-1,3-propanediamine. Therefore, the limit value given in Section 10.4 was based on the initial (1:1), secondary 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 a computer-based atom fragment contribution method, KOCWIN, version 2.00 (February 2009), © 2000-2008 U.S. Environmental Protection Agency, the adsorption coefficient (log₁₀ K_oc) of the test item was estimated to be greater than or equal to 10.0 (MCI method) and greater than or equal to 8.3 (K_owmethod).