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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
November - December 1992
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
GLP compliance:
yes (incl. QA statement)
Remarks:
This study has been performed in compliance with Good Laboratory Practice (GLP) in Switzerland, Procedures and Principles, March 1986, issued by the Federal Department of the Interior and the Intercantonal Office for the Control of Medicaments, Switzerlan
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
ca. -0.43
Temp.:
25 °C
pH:
10
Type:
log Pow
Partition coefficient:
-0.57
Temp.:
25 °C
pH:
9.9
Type:
log Pow
Partition coefficient:
-0.73
Temp.:
25 °C
pH:
9.7

Prior to this study, the solubility of the test substance in pure octanol and pure water had been investigated. The ratio of these solubility figures was used to give a preliminary estimate for Pow of around 0.6, (log Pow around -0.2).

Test Mixture

1

2

3

4

5

6

Pow

0.3701

0.3745

0.2686

0.2738

0.1882

0.1847

Average Pow +-S.D.

0.3723 (+-0.003)

0.2712 (+-0.004)

0.1865 (+-0.002)

Average Pow +-S.D.

0.2767 +-(0.083)

Log Pow

-0.4317

-0.4265

-0.5710

-0.5626

-0.7254

-0.7336

Average log Pow +-S.D.

-0.4291 (+-0.004)

-0.5668 (+-0.006)

-0.7295 (+-0.006)

Average log Pow +-S.D.

-0.5751 +-(0.135)
Conclusions:
The value of the logarithm of the octanol / water partition coefficient, log Pow, of the test substance was determined to be:
log Pow = -0.43 (+-0.004) at pH 10.0 and 25°C
log Pow = -0.57 (+-0.006) at pH 9.9 and 25°C
log Pow = -0.73 (+-0.006) at pH 9.7 and 25°C
Executive summary:

The study was performed according to GLP rules.

The study was performed in accordance with the EC Method A8, EEC Directive 79/831: Annex V, Part A, of February 1990 and with the OECD Guideline for testing of chemicals , number 107, of May 1981. The value of the octanol / water partition coefficient, log Pow, of the pure test substance was determined with the shake flask method to be:

log Pow = -0.43 (+-0.004) at pH 10.0 and 25°C

log Pow = -0.57 (+-0.006) at pH 9.9 and 25°C

log Pow = -0.73 (+-0.006) at pH 9.7 and 25°C

The figure in parantheses represents one standard deviation about the mean value. (All values are given to two significant figures where appropriate).

Description of key information

The study was performed according to GLP rules.
The study was performed in accordance with the EC Method A8, EEC Directive 79/831: Annex V, Part A,

of February 1990 and with the OECD Guideline for testing of chemicals , number 107, of May 1981. The value of the octanol / water partition coefficient, log Pow, of the pure test substance was determined with the shake flask method to be:
log Pow = -0.43 (+-0.004) at pH 10.0 and 25°C
log Pow = -0.57 (+-0.006) at pH 9.9 and 25°C
log Pow = -0.73 (+-0.006) at pH 9.7 and 25°C
The figure in parantheses represents one standard deviation about the mean value. (All values are given to two significant figures where appropriate).

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.43
at the temperature of:
25 °C

Additional information