Quaternary ammonium compounds, dicoco alkyldimethyl, nitrites

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

comparable to guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)

GLP compliance:

no

Type of method:

other: HPLC-ELSD was used to determine the Test Item in the 1-octanol phase and a UV-VIS Spectrophotometer for the water phase samples,

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

The commercial product containing the "substance", Quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites, CAS Number 71487 -01 -9, EC Number 275 -532 -1, in organic solvents, methanol and isopropanol (ca. 32%) was utlised for this study. Prior to this study being undertaken, these solvents were removed by, firstly, leaving the sample under a stream of nitrogen to remove the majority of the solvent(s) and, secondly, evaporating the remaining residual solvent(s) under vacuum at 60 degress C to constant dried weight of the test item. After solvent removal the substance was identified to be a yellow viscous liquid / wax like solid.

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

ca. 2.75

Temp.:

25 °C

pH:

7

Conclusions:

The Log Pow values for each C-chain at each sampling time have been recorded and are determined to be 2.7-2.8. Given the known carbon chain length distribution a log Pow value of 2.75 is determined to be representative of the substance.

Executive summary:

The partition coefficient of the test item (Quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites, CAS Number 71487-01-9, EC Number 275-532-1) was investigated in a study that was conducted according to OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method).

This study is assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al (1997).

The Log Pow values for each C-chain at each sampling time have been recorded and are determined to be 2.7-2.8. Given the known carbon chain length distribution a log Pow value of 2.75 is determined to be representative of the substance.

Description of key information

The partition coefficient of the test item (Quaternary ammonium compounds, di-C12-18-alkyldimethyl, nitrites, CAS Number 71487-01-9, EC Number 275-532-1) was investigated in a study that was conducted according to OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method).

This study is assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al (1997).

The Log Pow values for each C-chain at each sampling time have been recorded and are determined to be 2.7-2.8. Given the known carbon chain length distribution a log Pow value of 2.75 is determined to be representative of the substance.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.75

at the temperature of:

25 °C