Registration Dossier
Registration Dossier
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EC number: 944-011-7 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study, to GLP.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl pivalate
- EC Number:
- 268-259-4
- EC Name:
- 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl pivalate
- Cas Number:
- 68039-44-1
- Molecular formula:
- C15H22O2
- IUPAC Name:
- 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl pivalate
- Reference substance name:
- 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl pivalate
- EC Number:
- 268-261-5
- EC Name:
- 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl pivalate
- Cas Number:
- 68039-45-2
- Molecular formula:
- C15H22O2
- IUPAC Name:
- 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl pivalate
- Reference substance name:
- rel-(1R,2S,3aR,4S,5R,6aS,7R)-octahydro-1,5:2,4-dimethanopentalen-7-yl pivalate
- Molecular formula:
- C15H22)2
- IUPAC Name:
- rel-(1R,2S,3aR,4S,5R,6aS,7R)-octahydro-1,5:2,4-dimethanopentalen-7-yl pivalate
- Test material form:
- other: liquid, may crystalize to white solid
Constituent 1
Constituent 2
impurity 1
- Specific details on test material used for the study:
- Details on Test Material
- Name of test material (as cited in study report): Pivacyclene
- Physical state: Colourless to pale yellow liquid, may crystalize.
- Analytical purity: >=92.0 %
- Lot/batch No.: SC00004118
- Expiration date of the lot/batch: 17 July 2014.
- Stability under test conditions: Stable.
- Storage condition of test material: Protect from light. Refrigerated at 2 to 8 °C
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.55
- Temp.:
- 25 °C
- pH:
- 7
- Details on results:
- Note: Testing was performed at 25°C (column temperature), however the values can be considered to represent the values at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Kow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Applicant's summary and conclusion
- Conclusions:
- The log Pow of Pivacyclene according to the HPLC method is 5.55.
- Executive summary:
In an OECD guideline study (TG 117), conducted according to GLP, the partition co-efficient (n-octanol/water, log Pow), determined by the HPLC method, was 5.55.
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