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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:
2018-01-31 - 2018-04-19
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose:
reference to same study
Reason / purpose:
reference to same study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.31
Temp.:
28 °C
Remarks on result:
other: pH value not stated
Details on results:
OECD 117 Partition coefficients were determined using reverse phase high performance liquid chromatography (RP HPLC). Chemical reference standards using this method provide a correlation between sample hydrophobicity and the Reference Standard known partition coefficients. Once the reference standards are chromatographed and their retention times (RT) determined, a standard curve was established, plotting the reference standard RT vs LogP(ow) of the reference standards.
The test sample was then chromatographed using identical conditions, and the RT determined. The reference LogP(ow) for the test sample is then determined using the RT and curve fit parameters of the established reference standard plot.
The test sample chromatogram consisted of multiple peaks. To determine a mixed formulation LogP(ow), each peak is plotted according to the determined RT. A weighted averaged was applied based each individual peak absorbance and RT. The LogP(ow) is then determined for the formulation based on the weighted average of the representative peaks. The LogP(ow) for the test sample formulation was determined to be 1.31.
Conclusions:
The LogP(ow) for the test sample formulation was determined to be 1.31.
Executive summary:

A study was conducted to determine the partition coefficient (log Pow) of the test-sample according to GLP and OECD Guideline 117.

The test sample chromatogram consisted of multiple peaks. To determine a mixed formulation LogP(ow), each peak is plotted according to the determined RT. A weighted averaged was applied based each individual peak absorbance and RT. The LogP(ow) is then determined for the formulation based on the weighted average of the representative peaks. The LogP(ow) for the test sample formulation was determined to be 1.31.

Description of key information

A study was conducted to determine the partition coefficient (log Pow) of the test-sample according to GLP and OECD Guideline 117.

The test sample chromatogram consisted of multiple peaks. To determine a mixed formulation LogP(ow), each peak is plotted according to the determined RT. A weighted averaged was applied based each individual peak absorbance and RT. The LogP(ow) is then determined for the formulation based on the weighted average of the representative peaks. The LogP(ow) for the test sample formulation was determined to be 1.31.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.31
at the temperature of:
28 °C

Additional information