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Partition coefficient

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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

Additional information

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