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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Jun 2006 to Feb 2007
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007
Report Date:
2007

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Details on test material:
Sponsor batch no: 151105Purity: 99.9%

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.71
Temp.:
25 °C
Remarks on result:
not measured/tested
Remarks:
pH not specified

Applicant's summary and conclusion

Conclusions:
The octanol:water partition coefficient of Beta Ketosulfide was evaluated using the HPLC simulation technique with a mobile phase of methanol:water 75:25 v/v. The test substance eluted as a single component with a retention time corresponding to a log Pow value of +3.71, which was within a 95% confidence range of +3.47 to +4.06.
Executive summary:

The octanol:water partition coefficient was estimated by the HPLC simulation method using isocratic elution. The procedure conformed to those outlined in EC directive 92/69/EEC Method A8 and OECD Guideline 117.

 A log Pow value of +3.71 was determined using this method.