Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Study initiation date: 29 June 2009 Study completion date: 28 October 2009
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP-Guideline Study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Storage: at approx. 4 °C/ cool; at room temperature
Analytical method:
high-performance liquid chromatography
Type:
Pow
Partition coefficient:
0.13
Temp.:
25 °C
pH:
7.5
Key result
Type:
log Pow
Partition coefficient:
-0.9
Temp.:
25 °C
pH:
7.5

Summary of the results of the HPLC measurements of the reference compounds and the test item:

Sample
no.1)

tR1

[min]

tR2

[min]

tR

[min]

log k´(x)

log Pow (y)

0

1.17

1.17

1.17

 

 

 

1

1.80

1.80

1.80

0.538

-0.269

0.32)

2

2.46

2.46

2.46

1.103

0.043

1.02)

3

3.71

3.72

3.72

2.179

0.338

1.72)

4

4.19

4.19

4.19

2.581

0.412

1.62)

5

4.95

4.96

4.96

3.239

0.510

1.92)

6

2.71

2.71

2.71

1.316

0.119

1.12)

Test item

1.32

 

 

0.128

-0.893

-0.943)

Test item

 

1.32

 

0.128

-0.893

-0.943)

1) For the names of the reference compounds see table above!

2) Results from the OECD guideline for the testing of chemieals No. 117: "Partition Coefficient (n-octanol/water), HPLC method" (13 April 2004).

3) Extrapolated from linearized function log Pow = f(log k' ) of the calibration data, because there are no calibration substances available with log Pow < 0.3.

The log Pow-values of the test item fall within a range of ± 0.1 units, thus the test is satisfactory.

Plot of the log k' of the calibration substances against their log Pow:

The linear regression of the log k' of the calibration substances against their log Pow has a correlation coefficient of r = 0.9901

Regression equation: Y =2.0335 * x + 0.8759

Conclusions:
Partition coefficient n-octanol / water (Pow) (OECD 117): Pow = 0.13 / log Pow = -0.9
Executive summary:

The partition coefficient n-octanol / water (Pow) of the test item was determined according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method. Partition coefficient n-octanol / water (Pow): Pow = 0.13 / log Pow = -0.9

Description of key information

Partition coefficient (OECD 117): -0.9 at 25 °C

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.9
at the temperature of:
25 °C

Additional information

The partition coefficient n-octanol / water (Pow) of the test item was determined according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method. Partition coefficient n-octanol / water (Pow): Pow = 0.13 / log Pow = -0.9