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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
14 August 2018 to 17 August 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
1995
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
liquid chromatography
mass spectrometry
Key result
Type:
Pow
Partition coefficient:
358
Temp.:
25 °C
pH:
7
Key result
Type:
log Pow
Partition coefficient:
2.55
Temp.:
25 °C
pH:
7
Details on results:
It is considered that the test results are acceptable because six log Pow values of the test material were within the range of its average value ± 0.3 units and the material balance was more than 97 %.

Table 1: Partition coefficient

 

Pow

log Pow

Measured Value

Average

Total Average

Standard Deviation

Measured Value

Average

Total Average

Standard Deviation

Measurement Condition 1

A

3.53 x 10²

3.49 x 10²

3.58 x 10²

8.43

2.55

2.54

2.55

0.0102

B

3.46 x 10²

2.54

Measurement Condition 2

A

3.66 x 10²

3.62 x 10²

2.56

2.56

B

3.58 x 10²

2.55

Measurement Condition 3

A

3.69 x 10²

3.62 x 10²

2.57

2.56

B

3.56 x 10²

2.55

 

Table 2: Material Balance

 

Material Balance (%)

Measurement Condition 1

A

98.3

B

99.5

Measurement Condition 2

A

99.2

B

97.9

Measurement Condition 3

A

99.3

B

97.7
Conclusions:
Under the conditions of this study at 25 °C, the Pow of the test material was 358, the log Pow was 2.55.
Executive summary:

The partition coefficient of the test material was investigated in accordance with the standardised guideline OECD 107, under GLP conditions, according to the shake flask method using LC-MS analysis.

It is considered that the test results are acceptable because six log Pow values of the test material were within the range of its average value ± 0.3 units and the material balance was more than 97 %.

Under the conditions of this study at 25 °C, the Pow of the test material was 358, the log Pow was 2.55.

Description of key information

Under the conditions of the study at 25 °C, the Pow of the test material was 358, the log Pow was 2.55.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.55
at the temperature of:
25 °C

Additional information

The partition coefficient of the test material was investigated in accordance with the standardised guideline OECD 107, under GLP conditions, according to the shake flask method using LC-MS analysis. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

It is considered that the test results are acceptable because six log Pow values of the test material were within the range of its average value ± 0.3 units and the material balance was more than 97 %.

Under the conditions of the study at 25 °C, the Pow of the test material was 358, the log Pow was 2.55.