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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
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 - HPLC Method)
Version / remarks:
The shake-flask and HPLC methods to determine the partition coefficient of the substance in accordance with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Methods 107 and 117 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and 13 April 2004, respectively, were considered to be inappropriate for this test item.
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Remarks on result:
not determinable
Executive summary:

The shake-flask and HPLC methods to determine the partition coefficient of the substance in accordance with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Methods 107 and 117 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and 13 April 2004, respectively, were considered to be inappropriate for this test item.



Therefore, it was considered that the partition coefficient would be estimated via calculation of the ratio of the n-octanol solubility over the water solubility.
However, as both the n-octanol solubility results and the water solubility results indicated “less than” values, it was not feasible to determine a partition coefficient for the test item.

Description of key information

The shake-flask and HPLC methods to determine the partition coefficient of the substance in accordance with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Methods 107 and 117 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and 13 April 2004, respectively, were considered to be inappropriate for this test item.



Therefore, it was considered that the partition coefficient would be estimated via calculation of the ratio of the n-octanol solubility over the water solubility.
However, as both the n-octanol solubility results and the water solubility results indicated “less than” values, it was not feasible to determine a partition coefficient for the test item.

Key value for chemical safety assessment

Additional information