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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 6
Temp.:
25 °C
Remarks on result:
other: pH not relevant
Type:
log Pow
Partition coefficient:
12.3
Remarks on result:
other: calculated value for the main component (US EPA KOWWIN QSAR model v1.68, 2010)
Details on results:
There were no significant peaks present in the sample chromatogram before the retention time of DDT, the highest available reference standard with a known log10Pow value of 6.2. The components of the reference mixture eluted in the order of their known log10Pow values, the earliest eluting component being the deadtime standard, formamide. It was thus considered either that the method was inapplicable due to the components of the test substance being too insoluble for detection, or that any soluble components of the test substance eluted after DDT (or did not elute under the conditions of the analysis). The test substance components are, therefore, reported as having log10Pow values in excess of 6.
This conclusion is consistent with the value of log10Pow for representative components of the test material estimated by a calculation method using a computer program (KOWWIN, Version 1.68, U.S. Environmental Protection Agency, 2000). A log10Pow of 12.3 was calculated for the main component of the test material. Similar values (12.1-13.4) were calculated for the other components.

Description of key information

Log Pow  >6 at 25°C (OECD 117, EU A8)


Log Pow = 12.3 (KOWWIN v1.68, 2010)

Key value for chemical safety assessment

Log Kow (Log Pow):
12.3

Additional information

Computer modelling (US EPA KOWWIN QSAR model v1.68, 2010) indicated a Log Pow of 12.3 for the main component of the test material. Similar values (12.1 -13.4) were calculated for the other components.