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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:
The study was conducted between 23 October, 2014 and 01 July, 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Principles of method if other than guideline:
As per the above mentioned guidelines
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
None
Analytical method:
high-performance liquid chromatography
Type:
Pow
Partition coefficient:
< 0.001
Temp.:
22.8 °C
pH:
6
Key result
Type:
log Pow
Partition coefficient:
< -3.3
Temp.:
22.8 °C
pH:
6
Details on results:
Overall Pow : < 5.04E-04
log10 Pow : < -3.30
Pow standard deviation : n/a

Validation

Organic phase: The linearity of the detector response with respect to concentration was assessed over the concentration range of 2.57 to 20.6 mg/L (n = 6). The results were satisfactory with a correlation coefficient (r2) of 0.9998 being obtained.

Aqueous phase: The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 25.4 to 203 mg/L (n = 7). The results were satisfactory with a correlation coefficient (r2) of 0.9994 being obtained.

Results

The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:

Organic Phase

Solution

Mean Peak Area*

Standard 10.4 mg/L

2.0969E+06

Standard 10.1 mg/L

2.0975E+06

Organic phase matrix blank

N.D.

Sample 1

N.D.

Sample 2

N.D.

Sample 3

N.D.

Sample 4

N.D.

Sample 5

N.D.

Sample 6

N.D.

Aqueous Phase

Solution

Mean Peak Area*

Standard 104 mg/L

2.0580E+07

Standard 103 mg/L

1.9485E+07

Aqueous phase matrix blank

N.D.

Sample 1

1.9368E+07

Sample 2

1.9996E+07

Sample 3

1.9115E+07

Sample 4

1.9463E+07

Sample 5

1.9243E+07

Sample 6

1.9386E+07

Stock solution A

2.0071E+07

Stock solution B

2.0160E+07

 * N.D. = None detected

The total weights (mg) and analyzed concentration (mg/L) of the respective phases are shown in the following table:

Sample number

Total weight (mg)*

Organic phase

Aqueous phase

% recovery

Analyzed concentration (mg/L)‡

Weight (mg)†

Analyzed concentration (mg/L) )‡

Weight (mg)†

pH

1

855

< 5.0

< 0.41

1.01E+04

824

6.0

96.4

2

751

< 5.0

< 0.36

1.04E+04

747

6.0

99.5

3

584

< 5.0

< 0.56

9.92E+03

555

6.2

95.2

4

563

< 5.0

< 0.54

1.01E+04

545

6.0

96.9

5

1.16E+03

< 5.0

< 0.28

9.98E+03

1108

6.0

95.7

6

866

< 5.0

< 0.21

1.01E+04

835

6.0

96.5

pH of n-octanol saturated water: 6.0

pH of stock solution: 6.0

Temperature: 22.8 ± 0.5 °C

The partition coefficient determined for each sample is shown in the following table:

Sample number

Organic / aqueous volume ratio

Partition coefficient

Log10Pow

Mean partition coefficient

1

1:1

< 4.98E-04

< -3.30

< 4.98E-04

2

< 4.82E-04

< -3.32

3

2:1

< 5.04E-04

< -3.30

< 5.04E-04

4

< 4.95E-04

< -3.31

5

1:2

< 5.01E-04

< -3.30

< 5.01E-04

6

< 4.97E-04

< -3.30

* From analysis of the stock solution

‡See discussion

†From analysis of the respective phase

Conclusions:
The partition coefficient (log Pow) of the test item has been determined to be less than -3.30 at 22.8 ± 0.5 °C.
Executive summary:

The partition coefficient of the test substance was investigated in a study conducted according to OECD Guideline 107 and EU Method A.8. Shake flask method was used for this purpose. Based on the findings of the study, the partition coefficient (Pow) of the test substance was calculated to be less than 5.04E-04 at 22.8 ± 0.5 °C, while the log Pow was less than -3.30.

Description of key information

The partition coefficient (log Pow) of the test substance was calculated to be less than -3.30 at 22.8 ± 0.5 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.3
at the temperature of:
22.8 °C

Additional information

The partition coefficient of the test substance was investigated in a study conducted according to OECD Guideline 107 and EU Method A.8. Shake flask method was used for this purpose. Based on the findings of the study, the partition coefficient (Pow) of the test substance was calculated to be less than 5.04E-04 at 22.8 ± 0.5 °C, while the log Pow was less than -3.30.