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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:
2015-09-30 until 2016-12-14
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
other: SOP 00187 Version 3, this SOP corresponds to the Council Regulations EC No 440 / 2008, Guideline Part A – Methods for the Determination of physico-chemical properties, A.8, “Partition Coefficient”.
Deviations:
no
Principles of method if other than guideline:
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.
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Date of receipt: 2014-07-03
Expiry date: 2016-07-01
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.9
Temp.:
25 °C
pH:
7.2
Remarks on result:
other: Main component of the test item
Details on results:
The partition coefficient of the test item is determined to be: log Pow (range): 1.2 to 5.8.
Area % weighted log Pow for all peaks of the test item calculated with the area % of each detected HPLC peak and its corresponding log Pow value: log Pow (average): 3.9 (100 area % of the test item)

The solvent of the test item (ethyl acetate) should not be taken into account for the determination of the partition coefficient and was therefore not determined in this measurement.

Conclusions:
For phosphorothioyltris(oxybenzene-4,1-diylcarbamoyloxyethane-2,1-diyl) trisprop-2-enoate a partition coefficient of log Pow : 3.9 was determined.
Executive summary:

The partition coefficient of the main component of the test item, phosphorothioyltris(oxybenzene-4,1-diylcarbamoyloxyethane-2,1-diyl) trisprop-2-enoate, is determined to be: log Pow : 3.9.

The determination of the partition coefficient by the HPLC-method was based on OECD Guidelines for Testing of Chemicals No: 117 “Partition Coefficient (n-octanol / water).

Description of key information

For phosphorothioyltris(oxybenzene-4,1-diylcarbamoyloxyethane-2,1-diyl) trisprop-2-enoate a partition coefficient of log Pow : 3.9 was determined.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.9
at the temperature of:
25 °C

Additional information