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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:
2012
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)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
6.4
Temp.:
25 °C
pH:
7
Remarks on result:
other: weighted mean value (100 area % of the test item)
Type:
log Pow
Partition coefficient:
>= 5.8 - <= 8.1
Temp.:
25 °C
pH:
6.4
Details on results:
Remark:
In order to ensure a stable performance of the HPLC column, the column temperature was set to 40 °C. The reference Pow-values in the OECD guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature has no influence on the result of the determination. Therefore the Pow -value of the test item determined within this study also refers to 25 °C.

Test item evaluation

 Test item  Area % Mean value  log Pow Mean value  log Pow (averange value of all peaks)
 Peak 1  3.471  5.8  
 Peak 2  72.436  6.0  
 Peak 3  3.599  6.5

 6.4

 Peak 4  2.877  7.4  
 Peak 5  17.617  8.1  
 Sum  100.0    

The chromatogram of the test item showed a mixture of 5 peaks corresponding to 5 fractions.

The partition coefficient of the test item is determined to be: log Pow (range): 5.8 to 8.1

The Area % weighted log Pow for all peaks of the test item is determined to be: log Pow (average): 6.4 (100 area % of the test item)

Conclusions:
The partition coefficient (log Pow) of 6.4 at 25 °C and pH 7.0 is determined for the substance according to OECD TG 117.
Executive summary:

For the test item the partition coefficient was determined by the HPLC-method according to OECD TG 117.

The chromatogram of the test substance showed a mixture of 5 peaks corresponding to 5 fractions. The partition coefficient of the test item is determined to be: log Pow (range): 5.8 to 8.1

The Area % weighted log Pow for all peaks of the test item is determined to be: log Pow (average): 6.4 (100 area % of the test item)

Description of key information

The partition coefficient (log Pow) of 6.4 at 25 °C and pH 7.0 is determined for the substance according to OECD TG 117.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.4
at the temperature of:
25 °C

Additional information