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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:
Study initiation date: 24 June 2009 Study completion date: 28. October 2009
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
Adopted: 13 April 2004
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 6.1 - <= 8.1
Temp.:
25 °C
pH:
7.5
Details on results:
The broad range is an effect coming from i/n C13 and I/n C15 molecules as part of the substance.

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]

k‘

log k'(x)

log Pow (y)

0

0.81

0.81

0.81

 

 

 

1

1.41

1.40

1.41

0.741

-0.130

2.62)

2

1.56

1.57

1.57

0.938

-0.028

3.42)

3

2.07

2.07

2.07

1.556

0.192

4.02)

4

2.82

2.82

2.82

2.481

0.395

4.82)

5

4.09

4.10

4.10

4.062

0.609

5.72)

6

17.86

17.86

17.86

21.049

1.323

7.93)

Test item

5.70 -19.10

 

 

6.037 - 22.580

0.781 - 1.354

6.11 - 8.144)

Test item

 

5.70 - 18.96

 

6.037 - 22.407

0.781 - 1.350

6.11 - 8.134)

Mean value

 

 

 

 

 

6.1 - 8.1

1) For the names of the reference compounds see corresponding table in materials and methods section.

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

3) W. Klein et al: Chemosphere, Vol. 17 No. 2, 361 -386 (1988)

4) Interpolated from linearized function log Pow = f(log k' ) of the calibration data.

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

The following linear regression equation was obtained from the calibration substances:

y = 3.5491 * x + 3.3368 with

y being log Pow, and x being log k'.

The linear regression of log k' of the calibration substances against their log Pow has a correlation coefficient of r = 0.9954.

Conclusions:
Partition coefficient n-octanol / water (Pow, OECD 117): Pow = 1.26 x 10^6 - 1.26 x 10^8 / log Pow = 6.1 - 8.1 (pH 7.5; 25 °C).
Executive summary:

The partition coefficient n-octanol / water (Pow) of the test item was determined compliant with GLP 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 = 1.26 x 106 - 1.26 x 108 / log Pow = 6.1 - 8.1 (pH 7.5; 25°C).

Description of key information

Partition coefficient n-octanol / water (Pow, OECD 117): Pow = 1.26 x 10^6 - 1.26 x 10^8 / log Pow = 6.1 - 8.1 (pH 7.5; 25 °C).

Key value for chemical safety assessment

Additional information

The partition coefficient n-octanol / water (Pow) of the test item was determined compliant with GLP 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 = 1.26 x 106- 1.26 x 108/ log Pow = 6.1 - 8.1 (pH 7.5; 25°C).