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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:
From 28 December 1993 to 29 December 1993
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
1992
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
1989
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:
3.8
Temp.:
20 °C
Remarks on result:
other: Non-buffered mobile phase
Details on results:
In both HPLC-UV (268 nm) chromatograms of KY-AF, one large (98.2% area) and one small test substance peak (1.5% area) were observed. It was assumed that the large peak derived from the main constituent and the small peak derived from an impurity in the substance.


Table: Results Partition coefficient n-octanol-water (HPLC method)

 Substance tr (mean)  k'  log k'  log Pow  Pow
 ethylmethylketone  1.33  0.209  -0.680  0.3  
 nitrobenzene  1.95  0.773  -0.112  1.9  
 bromobenzene  3.55  2.223  0.347  3.0  
 1,4 -dichlorobenzene  4.46  3.050  0.484  3.4  
 1,2,4 -trichlorobenzene  7.51  5.829  0.766  4.2  
 triphenylamine  16.33  13.841  1.141  5.7  
           
 Peak of main constituent  5.17  3.695 0.568   3.8  6.14E03
 Impurity peak  11.67  9.609  0.983  5.0  9.77E04
Conclusions:
The log Pow of the substance was determined to be 3.8.

Executive summary:

The log Pow of the substance was determined using the HPLC method in a GLP study according to EC A.8 and OECD 117. The mobile phase was 75/25 (v/v) methanol/water and the wavelength of detection 268 nm for the substance and 210 nm for the reference substances and unretained component. Duplicate measurements were performed. Both chromatograms of the test substance solution (5.39 mg/L) showed a large substance peak and a small impurity peak. The log Pow value for the substance was 3.8. The log Pow for the impurity was 5.0.

Description of key information

Log Pow: 3.8 (EC A.8, OECD 117: HPLC method)   

Key value for chemical safety assessment

Log Kow (Log Pow):
3.8
at the temperature of:
20 °C

Additional information

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