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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:
01 Nov - 14 Dec 2006
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
no
Other quality assurance:
other: EN ISO 9001
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Storage: refrigerator (5 °C)
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
3.39
Temp.:
20 °C
Remarks on result:
other: pH not measured

Results

Table 2 – Reference compounds and test item HPLC measurement results (reference compound names are mentioned in the additional information on materials and methods section)

Sample no.

tR1[min]

tR2[min]

tR[min]

k’

log k’

Log POW

0

0.86

0.85

0.855

 

 

 

1

1.48

1.49

1.485

0.737

-0.133

1.7*

2

1.97

1.98

1.975

1.310

0.117

2.1*

3

2.62

2.63

2.625

2.070

0.316

2.6*

4

3.06

3.08

3.07

2.591

0.413

3.2*

5

4.32

4.36

4.34

4.076

0.610

3.6*

6

5.59

5.63

5.61

5.561

0.745

4.0*

7

11.00

11.18

11.09

11.971

1.078

4.5*

8

12.53

12.71

12.62

13.760

1.139

4.8*

Test item

3.98

 

 

3.65

0.563

3.38**

Test item

 

4.01

 

3.69

0.567

3.39**

Mean value

 

 

 

 

 

3.39**

*Results from the EU test method A.8
**These values were obtained from the linearized function log POW = f(log k’) of the calibration data

The log POW values of the test item fall within a range of ± 0.005 units, thus the test item is satisfactory. The linear regression of the log POW of the reference substance against their log k’ has a coefficient of determination of 0.9817.

The partition coefficient n-octanol/water (POW) of the test item is: log POW = 3.39

Description of key information

log Pow = 3.39 at 20 °C (OECD 117, HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
3.39
at the temperature of:
20 °C

Additional information

pH not measured