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Physical & Chemical properties

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: 29 July 2009 Study completion date:10. November 2009
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)
Version / remarks:
adopted on 13 April 2004
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
Directive 92/69/EEC, Official Journal L 383 A 1992
Deviations:
no
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:
3.4
Temp.:
25 °C
pH:
3
Remarks on result:
other: mean value from two determinations yielding identical results
Type:
Pow
Partition coefficient:
2 510
Temp.:
25 °C
pH:
3

Results of the HPLC measurements for reference compounds (for nomenclature, see materials and methods section) and test item:

Sample no.1) tR1
[min]		 tR2
[min]		 tR
[min]		 k' log k'(x) log Pow (y)
0 1.16 1.15 1.16 — — —
1 1.46 1.46 1.46 0.259 -0.587 1.82)
2 1.60 1.60 1.60 0.379 -0.421 1.92)
3 1.76 1.76 1.76 0.517 -0.287 2.12)
4 1.85 1.85 1.85 0.595 -0.225 2.42)
5 1.95 1.95 1.95 0.681 -0.167 2.72)
6 11.17 11.19 11.18 8.638 0.936 4.22)
Test item 4.22     2.638 0.421 3.403)
Test item   4.23   2.647 0.423 3.403)
Mean value           3.4

1) For the names of the reference compounds see materials 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) Interpolated from linearized function log Pow = f(log k' ) of the calibration data.

Linear regression function from plot log Pow (ordinate) against log k' (abscissa):

y = 1.6187 * x + 2.7193

The linear regression of the log k' of the calibration substances against their log Pow has a correlation coefficient of r = 0.9860.

The resulting log P values for the test item from two determinations fall within the range of +/- 0.1 log units. Thus, the test is satisfactory.

Conclusions:
Partition coefficient n-octanol / water (Pow; OECD 117): Pow =2510 / log Pow = 3.4 (pH 3.0; 25 °C)
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 = 2510 / log Pow = 3.4 at pH 3.0 (AQura, 2009).

Description of key information

Partition coefficient n-octanol / water (Pow; OECD 117): Pow =2510 / log Pow = 3.4 (pH 3.0; 25 °C)

Key value for chemical safety assessment

Log Kow (Log Pow):
3.4
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 = 2510 / log Pow = 3.4 at pH 3.0 (AQura, 2009).