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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:
10 January 2017 to 20 March 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose:
reference to same study
Related information:
Composition 1
Reason / purpose:
reference to same study
Related information:
Composition 1
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
1996
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Analytical method:
high-performance liquid chromatography
Key result
Type:
Pow
Partition coefficient:
35
Temp.:
20 °C
pH:
7
Key result
Type:
log Pow
Partition coefficient:
1.5
Temp.:
20 °C
pH:
7
Details on results:
The analysed concentration of the stock solution was 0.111 g/L. Based on this the nominal quantity of the test material in the test samples was 0.222 mg. The recoveries were determined according to this value.
The log Pow values were within the criterion range of ± 0.3 log units. Based on this, the Pow and log Pow of the test material is given as the mean value of all measurements.
No test material was detected in the pre-treated samples from the blank mixture.

Table 1: Pow of the test material

Ratio n-octanol:water [v:v]

Analysed concentration

Pow

log Pow

pH

n-Octanol (g/L)

Water (g/L)

Individual

Mean

1:1

0.0367

0.00100

3.7 x 10^1

3.6 x 10^1

1.6

7.2

0.0380

0.00108

3.5 x 10^1

1.5

7.2

1:2

0.0564

0.00187

3.0 x 10^1

2.9 x 10^1

1.5

7.2

0.0542

0.00201

2.7 x 10^1

1.4

7.2

2:1

0.0284

0.000689

4.1 x 10^1

4.0 x 10^1

1.6

7.2

0.0288

0.000725

4.0 x 10^1

1.6

7.2

Mean

3.5 x 10^1

 

1.5

 

Standard deviation

5.5 x 10^0

 

 

 

Conclusions:
Under the conditions of this study, the Pow and log Pow of the test material were 3.5 x 10^1 and 1.5, respectively, at 20 °C.
Executive summary:

The partition coefficient of the test material was determined in accordance with the standardised guidelines OECD 107, EU Method A.8 and US EPA OPPTS 830.7550 under GLP conditions using the shake flask method.

A stock solution of the test material was prepared in 0.1 M phosphate buffer pH 7 saturated with n-octanol at a nominal concentration of 112 mg/L. Duplicate test samples were prepared at ratios of 1:1, 1:2 and 2:1 v/v of n-octanol:water. The test samples were shaken for 30 minutes. Phase separation was obtained by centrifugation at 3500 g and 20 °C for 5 minutes. The solutions were analysed by HPLC. The test was performed at 20.9 ± 0.4 °C.

Under the conditions of this study, the Pow and log Pow of the test material were 3.5 x 10^1 and 1.5, respectively, at 20 °C.

Description of key information

Under the conditions of this study, the Pow and log Pow of the test material were 3.5 x 10^1 and 1.5, respectively, at 20 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.5
at the temperature of:
20 °C

Additional information

The partition coefficient of the test material was determined in accordance with the standardised guidelines OECD 107, EU Method A.8 and US EPA OPPTS 830.7550 under GLP conditions using the shake flask method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

A stock solution of the test material was prepared in 0.1 M phosphate buffer pH 7 saturated with n-octanol at a nominal concentration of 112 mg/L. Duplicate test samples were prepared at ratios of 1:1, 1:2 and 2:1 v/v of n-octanol:water. The test samples were shaken for 30 minutes. Phase separation was obtained by centrifugation at 3500 g and 20 °C for 5 minutes. The solutions were analysed by HPLC. The test was performed at 20.9 ± 0.4 °C.

Under the conditions of this study, the Pow and log Pow of the test material were 3.5 x 10^1 and 1.5, respectively, at 20 °C.