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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:
2007-01-09 to 2007-01-18
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
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
> 4.6
Temp.:
26 °C
pH:
>= 6.5 - <= 7

Experiment

1A

1B

2A

2B

3A

3B

Volume of the test substance solution (mL)

10

10

10

10

10

10

Volume of n-octanol (mL)

0

0

10

10

30

30

Volume of distilled water (mL)

20

20

20

20

20

20

Total volume of the aqueous phase (mL)

20

20

20

20

20

20

Total volume of the n-octanol phase (mL)

10

10

20

20

40

40

Concentration found in

n-octanol phase (g/L)

2.40

2.40

1.25

1.23

0.63

0.63

Concentration found in aqueous phase

(mg/L)

< 0.05

< 0.05

< 0.05

< 0.05

< 0.05

< 0.05

Mass balance (%)

106.3

106.3

110.4

109.1

110.6

111.7

pH aqueous phase (24°C)

6.7

6.5

7.0

6.7

6.9

6.6

The given values of the concentrations in the aqueous and the octanol phases are mean values each of two measurements.

 

Experiment

Pow

log Pow

Average log Pow

1A

> 43923

> 4.643

> 4.64

1B

> 43919

> 4.643

2A

> 22802

> 4.358

> 4.36

2B

> 22548

> 4.353

3A

> 11430

> 4.058

> 4.06

3B

> 11538

> 4.062

 

Standard

Measured concentration (mg/L)

% Recovery

Standard 8 in water (c = 1.37 mg/L)

1.39 / 1.38

101.3

Standard 4 in water (c = 7.74 mg/L)

7.47 / 7.02

93.6

Standard 6 in octanol (c = 240 mg/L)

224 / 212 / 225

91.4

Standard 3 in octanol (c = 2019 mg/L)

1920 / 1871 / 1877

93.6

Recoveries of the standards ranged between 91.4 % and 101.3 %, indicating a sufficient accuracy of the analytical method.

Conclusions:
The partition coefficient n-octanol/water of the test item was determined to log Pow > 4.6 (reference 4.7-1).
Executive summary:

The shake flask method was used to determine the log Pow of the test item according to the test guidelines described in Regulation (EC) No 440/2008, method A.8 and OECD Guideline No. 107. Gas chromatography (GC) was used as analytical method. A test series with three different concentrations of the test item was performed. The partition coefficient n-octanol/water of the test item was determined to log Pow > 4.6.

Description of key information

The partition coefficient n-octanol/water of the test item was determined to log Pow > 4.6 (reference 4.7-1).

Key value for chemical safety assessment

Log Kow (Log Pow):
4.6
at the temperature of:
24 °C

Additional information

The shake flask method was used to determine the log Pow of the test item according to the test guidelines described in Regulation (EC) No 440/2008, method A.8 and OECD Guideline No. 107. Gas chromatography (GC) was used as analytical method. A test series with three different concentrations of the test item was performed. The partition coefficient n-octanol/water of the test item was determined to log Pow > 4.6.