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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:
From December 05, 2016 to December 07, 2016
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 - Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
other: partitioning between the mobile solvent phase and the hydrocarbon stationary phase
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 1
Temp.:
25 °C
Remarks on result:
not determinable because of methodological limitations
Details on results:
Retention time measured for the test substance (1.71 min) is lower than the first eluting standard, acetanilide (2.98 min). This result shows that log Pow of the test substance is outside the calibration range that was used in this study. It can however be concluded that the partition coefficient of the test substance is lower than the partition coefficient of acetanilide (log Pow = 1). The estimated log Pow of the test substance is between 0 and 1.0.
Conclusions:
Under the study conditions, the estimated log Pow of the test substance is between 0 and 1.0.
Executive summary:

A study was conducted to determine the partition coefficient of the test substance according to OECD 117 Guideline and EU Method A.8 (HPLC Method), in compliance with GLP. Reference substances and test substance were dissolved in acetonitrile. Concentration of these stock solutions was about 1 mg/mL. The stock solutions were diluted with mobile phase (acetonitrile : water = 6 : 4) 100 fold. The three calibration series and three test substance series were measured alternately. The capacity factor k and log Pow for the test substance were calculated based on the calibration data obtained with 6 reference substances. Retention time measured for the test substance (1.71 min) is lower than the first eluting standard, acetanilide (2.98 min). It can be concluded that the partition coefficient of the test substance is lower than the partition coefficient of acetanilide (log Pow = 1). Under the study conditions, the estimated log Pow of the test substance is between 0 and 1.0 (Sárvári, 2017).

Description of key information

Determination of the partition coefficient according to OECD Guideline 117 and EU Method A.8 (Sárvári, 2017).

Key value for chemical safety assessment

Log Kow (Log Pow):
1
at the temperature of:
25 °C

Additional information

The estimated log Pow of the test substance is between 0 and 1.0