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EC number: 603-330-9 | CAS number: 129332-29-2
Partition coefficient
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:
- 2 001
- 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
- Reference substance name:
- 00945
- IUPAC Name:
- 00945
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
Constituent 1
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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