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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:
from 2018-09-17 to 2018-11-06
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
liquid chromatography
Key result
Type:
Pow
Partition coefficient:
5.6
Temp.:
20 °C
pH:
>= 7 - <= 7.1
Key result
Type:
log Pow
Partition coefficient:
0.74
Temp.:
20 °C
pH:
>= 7 - <= 7.1

The recovery in all ratios was between 100 and 106 %. The pH was measured to be 7.0 - 7.1.

Table 1. Calculated partition coefficient (Pow) and log Pow

Ratio of solvents
(n-octanol : water)

Partition coefficient

Log Partition coefficient

Pow

Log Pow

1:1

5.61

0.749

2:1

4.69

0.671

1:2

6.45

0.810

Mean all

5.6

0.74

95 % Confidence limit

0.6

0.05

 

Conclusions:
The partition coefficient Pow of the test item was determined to be 5.6 at 20 °C. The log Pow was calculated to be 0.74 at 20 °C.
Executive summary:

A study was conducted in accordance with OECD TG 107, Regulation (EC) No 440/2008 method A.8 and OPPTS 830.7550 to determine the partition coefficient of the test substance using the shake flask method. A stock solution of the test substance was prepared in n-octanol pre-saturated with water. Test vessels with octanol/water mixture in different ratios were shaken for 5 minutes by hand. Separation of the two phases was achieved by centrifugation at 20 °C. The samples in the octanol phase and the water phase were diluted and analysed using LC-MS. The partition coefficient of the test item was determined to be 5.6. The log Pow is 0.74.

Description of key information

The partition coefficient Pow of the test item was determined to be 5.6 at 20 °C. The log Pow was calculated to be 0.74 at 20 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.74
at the temperature of:
20 °C

Additional information

A study was conducted in accordance with OECD TG 107, Regulation (EC) No 440/2008 method A.8 and OPPTS 830.7550 to determine the partition coefficient of the test substance using the shake flask method. A stock solution of the test substance was prepared in n-octanol pre-saturated with water. Test vessels with octanol/water mixture in different ratios were shaken for 5 minutes by hand. Separation of the two phases was achieved by centrifugation at 20 °C. The samples in the octanol phase and the water phase were diluted and analysed using LC-MS. The partition coefficient of the test item was determined to be 5.6. The log Pow is 0.74.