Reaction mass of Disodium decyl(sulphonatophenoxy)benzenesulphonate and Disodium oxybis[decylbenzenesulphonate]

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

September 30, 2016 to December 19, 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Deviations:

no

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Identity: EC# 915-640-4
Physical state: White powder
Storage conditions: Room temperature (15 to 25°C)
Batch number: YY00F3RL01-Dry
Purity: Mixture
Expiry date: 28 June 2017

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

< 1

Temp.:

25 °C

pH:

4

Details on results:

A calibration plot of log10k versus log10Pow was constructed for the reference standards. The logarithm of the capacity factor for the test item was then calculated and the log10Pow values were determined by interpolation, if applicable.
The test item, EC# 915-640-4, was determined to have log10Pow values ranging from < 1.0 for the main component (limit value quoted due to shorter retention than the lowest standard) to 4.0 for the longest retained component.

Preliminary estimation:

Values of log₁₀P_ow for components of EC# 915-640-4 were estimated by a calculation method using a computer program (KOWWIN, Version 1.68, U.S. Environmental Protection Agency, 2000). The program estimates the log₁₀P_ow value by reference to compound structures for which reliable log₁₀P_ow data is available.

The components of EC# 915-640-4 were calculated to have log₁₀P_ow values of 1.5 or greater.

Conclusions:

The main component of the test item, EC# 915-640-4, was found to have a log10Pow value of less than 1.0.

Executive summary:

The partition coefficient for the test material was investigated using the HPLC methodology. In a preliminary investigation,values of log₁₀P_ow for components of EC# 915-640-4 were estimated by a calculation method using a computer program (KOWWIN, Version 1.68, U.S. Environmental Protection Agency, 2000). The program estimates the log₁₀P_ow value by reference to compound structures for which reliable log₁₀P_ow data is available. The components of EC# 915-640-4 were calculated to have log₁₀P_ow values of 1.5 or greater.

Partition coefficients in the range of log₁₀P_ow between 0 and 6 can be estimated using high performance liquid chromatography (HPLC).

Due to the acidic nature of the test item, the test was conducted at pH 4, i.e. at the lower end of the pH range of environmental significance.

In order to correlate the measured capacity factor (k) of the test material with its P_ow, six reference materials were selected from a list of recommended compounds. These reference compounds were selected to have log₁₀P_ow values between 1.0 and 6.2. An internal standard (formamide) with no retention on the HPLC column was used to determine the deadtime of the HPLC system.

A calibration plot of log₁₀k versus log₁₀P_ow was constructed for the reference standards. The logarithm of the capacity factor for the test item was then calculated and the log₁₀P_ow values were determined by interpolation, if applicable.

The test item, EC# 915-640-4, was determined to have log₁₀P_ow values ranging from < 1.0 for the main component (limit value quoted due to shorter retention than the lowest standard) to 4.0 for the longest retained component.

The main component of the test item, EC# 915-640-4, was found to have a log₁₀P_ow value of less than 1.0.

Description of key information

EC# 915-640-4 main component was found to have a log₁₀P_ow value of less than 1.0.

Key value for chemical safety assessment

Log Kow (Log Pow):

1

at the temperature of:

25 °C