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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Batch: CDC-003
Analytical method:
high-performance liquid chromatography
Type:
Pow
Partition coefficient:
200
Temp.:
35 °C
pH:
7
Key result
Type:
log Pow
Partition coefficient:
2.3
Temp.:
35 °C
pH:
7
Details on results:
The HPLC method at pH 7 was applied for the determination of partition coefficient (Pow) of the test substance. The calculation method was initially used as a preliminary estimation of the Pow of the test substance.
The results (Log Pow) of the Rekker calculation (calculation method) and the HPLC method differ by more than 0.3 log units. Since the HPLC method is a more accurate experimental method, the results of this are reported as the main endpoint for the determination of the partition coefficient.

The Powand log Powvalue of the test substance was:

 

 

pH 7

Pow

log Pow

Area
%

 

 

 

 

Test substance

2.0x102

2.3

100

 

 

 

 

Conclusions:
The partition coefficient was determined to be 200 (Pow) and 2.3 (LogPow).

Description of key information

The HPLC method was applied for the determination of the partition coefficient (Pow) of the test substance.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.3
at the temperature of:
35 °C

Additional information

The partition coefficient was determined to be 2.0 x 10^2 (Log Pow 2.3) using the HPLC method.