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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:
09 April 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- The infrared (IR) spectrum of the test material measured at this laboratory was confirmed to be identical to that provided by the sponsor.
- In addition, the IR spectrum of the test material after the completion of the experiment was the same as that before the start of the experiment, and it indicated that the test material was stable under the storage conditions.
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4
Temp.:
25 °C
Remarks on result:
other: pH not specified
Details on results:
- No adverse effects on the reliability of this test were noted.
- It is judged that all of the test results are valid because the difference between two measured values of each peak was within ± 0.1.
- The three peaks are likely to be three isomers of the test material. The highest of these (log Pow = 4.0) will be reported as the key value for safety assessment.

Table 1: Test Results

Peak No.

log Pow

Measured Value

Average

1

3.6

3.6

3.6

2

3.8

3.8

3.8

3

4.0

4.0

4.0

log Pow = 4.228 x lok k + 2.559

r = 0.995

Conclusions:
Under the conditions of this study the log Pow of the test material was determined to be 4.0 at 25 °C.
Executive summary:

The partition coefficient of the test material was investigated in accordance with the standardised guideline OECD 117, under GLP conditions.

The High Performance Liquid Chromatography (HPLC) method was used.

During the study, the test material solution was injected twice to the test equipment and the retention time of the test material was measured. Three peaks were detected from the test material solution, and those peaks were targeted for analysis. Each peak was named as Peak 1 to Peak 3 in order of the retention time. The solvent blank was injected once to the test equipment.

The average log Pow values were 3.6, 3.8 and 4.0 for Peaks 1, 2 and 3, respectively.

The three peaks are likely to be three isomers of the test material. The highest of these (log Pow = 4.0) will be reported as the key value for safety assessment.

Under the conditions of this study the log Pow of the test material was determined to be 4.0 at 25 °C.

Description of key information

Under the conditions of the study the log Pow of the test material was determined to be 4.0 at 25 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
4
at the temperature of:
25 °C

Additional information

The partition coefficient of the test material was investigated in accordance with the standardised guideline OECD 117, under GLP conditions.

The High Performance Liquid Chromatography (HPLC) method was used. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

During the study, the test material solution was injected twice to the test equipment and the retention time of the test material was measured. Three peaks were detected from the test material solution, and those peaks were targeted for analysis. Each peak was named as Peak 1 to Peak 3 in order of the retention time. The solvent blank was injected once to the test equipment.

The average log Pow values were 3.6, 3.8 and 4.0 for Peaks 1, 2 and 3, respectively.

The three peaks are likely to be three isomers of the test material. The highest of these (log Pow = 4.0) will be reported as the key value for safety assessment.

Under the conditions of this study the log Pow of the test material was determined to be 4.0 at 25°C.