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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30 November 2001-30 November 2001
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2001
Report date:
2001

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to guideline
Guideline:
other: EEC directive 92/69 EEC, Part A, Methods for the determination of physico-chemical properties, A.8. "Partition coefficient", EEC Publicationno L383, December 1992
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
00945
IUPAC Name:
00945
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
ca. 5
Temp.:
23 °C
Remarks on result:
other: Major component
Type:
log Pow
Partition coefficient:
ca. 3.3
Temp.:
23 °C
Remarks on result:
other: Impurity
Type:
log Pow
Partition coefficient:
ca. 3.8
Temp.:
23 °C
Remarks on result:
other: Impurity
Type:
log Pow
Partition coefficient:
ca. 4.6
Temp.:
23 °C
Remarks on result:
other: Impurity
Type:
log Pow
Partition coefficient:
ca. 5.3
Temp.:
23 °C
Remarks on result:
other: Impurity

Applicant's summary and conclusion

Conclusions:
The log Partition coefficient for the major component in the test substance is 5.0 and the log Partition values for four impurities in Diolat are 3.3, 3.8, 4.6 and 5.3 at approximately 23 degrees celsius.
Executive summary:

The Rekker calculation method was used for a preliminary estimation of the partition coefficient (n-octanol/water) of the test substance. Based on the result of the calculation method, it was decided to use the HPLC method for an accurate determination of the partition coefficient. The results of the calculation method and the HPLC method are not in agreement. Since the HPLC method is a more accurate method than the calculation method, the result of the HPLC method is reported as the partition coefficient of the test substance.

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