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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:
26 September 2017 to ****
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
Deviations:
no
GLP compliance:
yes
Type of method:
slow-stirring method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Physical state: Dark amber liquid
Purity: >93 %
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 9.6
Temp.:
25 °C
pH:
>= 5 - <= 9
Remarks on result:
other: High molecular weight component
Key result
Type:
log Pow
Partition coefficient:
9.4
Temp.:
25 °C
pH:
5
Remarks on result:
other: Low molecular weight component
Key result
Type:
log Pow
Partition coefficient:
9.7
Temp.:
25 °C
pH:
7
Remarks on result:
other: Low molecular weight component
Key result
Type:
log Pow
Partition coefficient:
8.9
Temp.:
25 °C
pH:
9
Remarks on result:
other: Low molecular weight component
Conclusions:
As a definitive solubility could not be determined for the high molecular weight component the log Pow was considered to be >9.6. For the low molecular weight component the log Pow was 9.4 at pH 5, 9.1 at pH 7 and 8.9 at pH 9. These results are an estimation and the real values are likely to be higher. It should be noted that there are two main stated constituents which are likely to have different partition coefficients with the higher molecular weight constituent likely to have the higher partition coefficient.
Executive summary:

In a study performed to the standardised guideline OECD 105, under GLP conditions, the partition coefficient of the test substance has been determined for the high molecular weight component the log Pow to be >9.6 and for the low molecular weight component the log Pow to be 9.4 at pH 5, 9.1 at pH 7 and 8.9 at pH 9 at 25 °C, Smithers Viscient (ESG) Ltd. (2018).

Description of key information

In a study performed to the standardised guideline OECD 105, under GLP conditions, the partition coefficient of the test substance has been determined for the high molecular weight component the log Pow to be >9.6 and for the low molecular weight component the log Pow to be 9.4 at pH 5, 9.1 at pH 7 and 8.9 at pH 9 at 25 °C, Smithers Viscient (ESG) Ltd. (2018).

Key value for chemical safety assessment

Log Kow (Log Pow):
9.6
at the temperature of:
25 °C

Additional information