Registration Dossier
Registration Dossier
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EC number: 604-569-1 | CAS number: 147126-62-3
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17.08.2004 to 07.12.2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP- Study performed
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 004
- Report date:
- 2004
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- yes
- Qualifier:
- according to guideline
- Guideline:
- other: OECD 105 Octanol solubility study performed
- Deviations:
- yes
- Principles of method if other than guideline:
- To determine the solubility of the test substance in n-octanol. It should be noted that the above test was conducted in lieu of the octanol/water partition coefficient determination (OECD 107) because the test substance is known to.be hydrolytically unstable in water. More details of the hydrolysis are given in the preamble to OECD Method 106.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: Calculated from solubility in water and solubility in octanol
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- OS Menthol Ester
- IUPAC Name:
- OS Menthol Ester
- Reference substance name:
- (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate
- EC Number:
- 604-569-1
- Cas Number:
- 147126-62-3
- Molecular formula:
- C14H24O4S
- IUPAC Name:
- (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate
- Test material form:
- solid: compact
Constituent 1
Constituent 2
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.18
- Remarks on result:
- other: calculated
- Details on results:
- The water solubility of the test substance was determined to be 0.054 ± 0.003 grams/litre. The octanol solubility was determined to be 81.1 ± 0.6 grams/litre (Section 10 ofthis report). The Pow was calculated to be 1502 ± 95, The error was the pooled variability inthe individual water and octanol solubilities. The overall mean Log Pow was calculated to be 3.18.
Applicant's summary and conclusion
- Conclusions:
- Based on individual determinations of the water and octanol solubility of the test substance, we concluded that the log Paw of the test substance was 3.18.
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