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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:
May 14, 2012 - May 24, 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.75
Temp.:
20 °C
pH:
5.37
Details on results:
Calculated value of logarithm to base 10 of 2-methylcyclohexyl acetate partition coefficient 1-octanol/water (log Pow) at 20.0 °C is 2.75 ± 0.20.

Calculated values logarithm to base 10 of partition coefficient 1-octanol/water:

Vial number

1

2

3

4

5

6

Vol octanol phase/vol of water phase

1:1

1:2

2:1

Pow = C1 octanol / Cwater

576.50

666.14

1293.42

527.14

326.65

348.26

log Pow = log (C1 octanol / Cwater)

2.76

2.82

3.11

2.72

2.51

2.54

Average log Pow + SD

2.79 ± 0.04

2.92 ± 0.28

2.53 ± 0.02

Average log Pow + SD

2.75 ± 0.20

Measured pH values of water phase

Vial number

1

2

3

4

5

6

pH before test

5.35

5.35

5.42

5.40

5.31

5.29

pH after test

5.38

5.33

5.45

5.47

5.30

5.30

Conclusions:
Calculated value of logarithm to base 10 of 2-methylcyclohexyl acetate partition coefficient 1-octanol/water (log Pow) at 20.0 °C was 2.75 ± 0.20.
Executive summary:

The study of the determination of 2 -methylcyclohexyl acetate partition coefficient l-octanol/water was carried out according to the method EEC.A.8 and OECD 107, Shake Flask Method. Taking into account the solubility of the test substance in water and the solubility of the test substance in 1-octanol, the partition coefficient was calculated. Calculated value of logarithm to base 10 of 2-methylcyclohexyl acetate partition coefficient 1-octanol/water (log Pow) at 20.0 °C was 2.75 ± 0.20.

Description of key information

Key study: Test method EEC A.8 and OECD 107. GLP study. The partition coefficient l-octanol/water (log Pow) of 2-methylcyclohexyl acetate at 20 ºC was 2.75 ± 0.20

Key value for chemical safety assessment

Log Kow (Log Pow):
2.75
at the temperature of:
20 °C

Additional information

Key study: The study of the determination of 2 -methylcyclohexyl acetate partition coefficient l-octanol/water was carried out according to the method EEC.A.8 and OECD 107, Shake Flask Method. Calculated value of logarithm to base 10 of 2-methylcyclohexyl acetate partition coefficient 1-octanol/water (log Pow) at 20.0 °C was 2.75 ± 0.20.

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