9-Octadecenoic acid (Z)-, reaction products with diethylenetriamine, di-Me sulfate-quaternized

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Data waiving:

study technically not feasible

Justification for data waiving:

the study does not need to be conducted because the substance has a high surface activity

Reference 2

Endpoint:

partition coefficient

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

04 October 2017 - 22 March 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

The partition coefficient could not be performed using procedures designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 107 or Method 117 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and Method 830.7550 or Method 830.7570 of the OCSPP Guidelines due to the surface active nature of the test item.

Qualifier:

no guideline followed

Principles of method if other than guideline:

An estimation of the partition coefficient of the two representative constituents was performed using the specialized software KOWWIN, version 1.68, September 2010, © 2000, US Environmental Protection Agency.

GLP compliance:

no

Type of method:

other: KOWWIN

Partition coefficient type:

octanol-water

Key result

Type:

log Pow

Partition coefficient:

12.4

Remarks on result:

other: Temperature and pH not relevant for an estimated value

Type:

log Pow

Partition coefficient:

15.2

Remarks on result:

other: Temperature and pH not relevant for an estimated value

Conclusions:

Undertaking estimation of the partition coefficient of two representative constituents using the specialised software KOWWIN v1.68, resulted in an estimated logPow of 12.4 and 15.2 and an estimated logPow of the methyl sulphate component of -2.98.

Executive summary:

The partition coefficient could not be performed using procedures designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 107 or Method 117 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and Method 830.7550 or Method 830.7570 of the OCSPP Guidelines due to the surface active nature of the test item. Therefore, an estimation of the partition coefficient of the test item individual constituents was performed using the specialized software KOWWIN, version 1.68, September 2010, © 2000, US Environmental Protection Agency. This provided an estimated logPow for two representative constituents of 12.4 and 15.2 and an estimated logPow of the methyl sulphate component of -2.98.

Description of key information

The partition coefficient could not be performed using procedures designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 107 or Method 117 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and Method 830.7550 or Method 830.7570 of the OCSPP Guidelines. This was due to the following reasons:

• The test item was determined to be surface-active.

• The flask method is not suitable for surface-active substances.

• The HPLC method was not suitable due to the nature of the test item, as the technique is not suitable for surface-active substances, organic salts or strong acids.

Therefore, an estimation of the partition coefficient of the test item individual constituents was performed using the specialized software KOWWIN, version 1.68, September 2010, © 2000, US Environmental Protection Agency. This provided an estimated logPow of a long chain amide species of 12.4.

Key value for chemical safety assessment

Log Kow (Log Pow):

12.4