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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:
Study Initiation Date: 30 Jun 2016 Study Completion Date: 20 Sep 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 1
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
(adopted 2004)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
Swiss Federal Office of Public Health, Bern, Switzerland
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Analytical method:
liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
5.12
Temp.:
25 °C
pH:
3.5

Table 1: Retention Times and Capacity Factors of Reference Items

1st Run 2nd Run 3rd Run Average
Retention Time [min] Log k' Retention Time [min] Log k' Retention Time [min] Log k' Log k' Log Pow
Formamide (dead time) 0.693 0.693 0.687
Reference Items
Benzonitrile 1.027 -0.317 1.027 -0.317 1.027 -0.305 -0.313 1.6
Benzene 1.26 -0.087 1.26 -0.087 1.26 -0.079 -0.084 2.1
Toluene 1.5 0.066 1.507 0.07 1.5 0.073 0.07 2.7
Biphenyl 2.1 0.308 2.107 0.31 2.1 0.313 0.31 4
Triphenylamine 4.693 0.761 4.7 0.762 4.7 0.767 0.763 5.7
4,4-DDT 6.213 0.901 6.227 0.902 6.227 0.907 0.903 6.5

Table 2: Results of Log Pow-Values of 10-HSA

Test Item Run Retention Time [min] Log k' Log Pow Mean Overall Mean
Solution 1 1st run 3.433 0.602 5.131 5.12 5.12
2nd run 3.433 0.597 5.111
Solution 2 1st run 3.44 0.598 5.116 5.12
2nd run 3.44 0.598 5.116

Conclusions:
During this study, the partition coefficient (n-octanol/water) of 10-HSA was determined using the HPLC method. The log Pow-value was found to be 5.12.
Executive summary:

This study was conducted to determine the partition coefficient (n-octanol/water) of 10-HSA .

From calculation QSAR (EPI Suite, KOWWIN v1.67) a value for the log Powof 6.41 was obtained.Thus, the HPLC method was considered to be appropriate for the test item. Six reference items, recommended by the guideline, which have known log Pow-values in the range of 1.6 to 6.5 were used.

Under the conditions of the study, the partition coefficient (n-octanol/water) of 10-HSA was 5.12.

Description of key information

Log Pow is 5.12 at 25 C (OECD 117, HPLC method).

Key value for chemical safety assessment

Log Kow (Log Pow):
5.12
at the temperature of:
25 °C

Additional information