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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
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
2.702
Temp.:
20 °C
pH:
5

All validity criteria are met. No doubts exists concerning the validity of the study outcome.

Conclusions:
log Pow = 2.7
Executive summary:

The study was performed using a HPLC with a C 18 column. Eight reference items with different retention times were used to produce a calibration curve,since retention time on hydrophobie columns and Pow are correlated.

First, a solution of the reference items was analysed with HPLC, then a solution of the test item, and finally again the solution with the reference items. Each analysis was performed three times, totalling to nine runs.

For each reference item, the capacity factor K was calculated from the retention time of thiourea and the retention time of the respective reference item.

A calibrationfunction (log K versus log Pow, linear fit) was determined using the literature values for Pow of the reference items and the retention times in the six determinations.

The chromatogram of the test item gave one peak (mean retention time = 9.27min). With the help of the calibration function log K versus log Pow, the corresponding log Pow was determined as: 2.702±0.031,

this value being the mean of three independent determinations ± their standard deviation.

Description of key information

Log Pow was determined as 2.702±0.031

Key value for chemical safety assessment

Log Kow (Log Pow):
2.702
at the temperature of:
20 °C

Additional information

The study was performed using a HPLC with a C 18 column. Eight reference items with

different retention times were used to produce a calibration curve,since retention time on

hydrophobie columns and Pow are correlated.

First, a solution of the reference items was analysed with HPLC, then a solution of the test item, and finally again the solution with the reference items. Each analysis was performed three times, totalling to nine runs.

For each reference item, the capacity factor K was calculated from the retention time of

thiourea and the retention time of the respective reference item.

A calibrationfunction (log K versus log Pow, linear fit) was determined using the literature

values for Pow of the reference items and the retention times in the six determinations.

The chromatogram of the test item gave one peak (mean retention time = 9.27 min). With

the help of the calibration function log K versus log Pow, the corresponding log Pow was

determined as:

2.702±0.031,

this value being the mean of three independent determinations ± their standard deviation.