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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:
from 2017-04-10 to 2017-05-23
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
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.42
Temp.:
25 °C
pH:
13.4

Table 1. Shake Flask Test - Results obtained for log Pow

Organic/ Aqueous Volume Ratio

Determined Test Item Concentration in n-Octanol Phase

[mg/L]

Determined Test Item Concentration in Aqueous Phase

[mg/L]

pH of Aqueous Phase

Log Pow

mean value

Log Pow

Standard Deviation

1:1

1:1

1:2

1:2

2:1

2:1

947

947

965

973

917

931

36.4

36.4

36.7

37.1

35.1

36.0

13.49

 

13.47

 

13.37

1.415

1.415

1.420

1.419

1.417

1.413

1.42

± 0.00

 

Conclusions:
The log Pow value was found to be 1.42 at a pH mean value of 13.4.
Executive summary:

The determination of the partition coefficient (n-octanol/water) of the test item was performed according to OECD Guidelines for the Testing of Chemicals, No. 107 (adopted 1995), Partition Coefficient (1-Octanol/Water): Shake Flask Method. In a preliminary test, the shake flask method was applied. The log Pow value obtained was found to be 1.4. Since the test item is a free base, the pH was adjusted to at least 1 unit above the pKb to perform the test in its non-ionized form. The log Pow value was found to be 1.42 at a pH mean value of 13.4.

Description of key information

The log Pow value was found to be 1.42 at a pH mean value of 13.4.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.42
at the temperature of:
25 °C

Additional information

The determination of the partition coefficient (n-octanol/water) of the test item was performed according to OECD Guidelines for the Testing of Chemicals, No. 107 (adopted 1995), Partition Coefficient (1-Octanol/Water): Shake Flask Method. In a preliminary test, the shake flask method was applied. The log Pow value obtained was found to be 1.4. Since the test item is a free base, the pH was adjusted to at least 1 unit above the pKb to perform the test in its non-ionized form. The log Pow value was found to be 1.42 at a pH mean value of 13.4.