Registration Dossier
Registration Dossier
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EC number: 953-079-7 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July 14 to July 28 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-methyl-2-(((1RS,2RS)-2,6,6-trimethylcycloheptyl)oxy)propan-1-ol
- Molecular formula:
- C14H28O2
- IUPAC Name:
- 2-methyl-2-(((1RS,2RS)-2,6,6-trimethylcycloheptyl)oxy)propan-1-ol
- Reference substance name:
- 2-((RS)-1-((SR)-3,3-dimethylcyclohexyl)ethoxy)-2-methylpropan-1-ol
- Molecular formula:
- C14H28O2
- IUPAC Name:
- 2-((RS)-1-((SR)-3,3-dimethylcyclohexyl)ethoxy)-2-methylpropan-1-ol
- Reference substance name:
- 2-((RS)-1-((RS)-3,3-dimethylcyclohexyl)ethoxy)-2-methylpropan-1-ol
- Molecular formula:
- C14H28O2
- IUPAC Name:
- 2-((RS)-1-((RS)-3,3-dimethylcyclohexyl)ethoxy)-2-methylpropan-1-ol
- Test material form:
- liquid
Constituent 1
Constituent 2
Constituent 3
- Specific details on test material used for the study:
- Aspect: liquid
Lot no: VE00036800
Purity: 97.0% (sum of 5 isomers)
Expiration date: May 04, 2011
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 4 - <= 4.1
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow 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 chromatograms of Serenol shows two peaks at average retention times of 9.64 minutes (6.1% relative area) and 10.53 minutes (93.9% relative peak area), corresponding to partition coefficients (log value) of 4.0, 4.1 respectively.
Therefore:
Partition coefficients n-octanol/water of Serenol: log Pow = 4.0 and 4.1 - Executive summary:
The partition coefficient n-octanol/water of Serenol was determined by the Reverse Phase High Performance Liquid Chromatographic Method.
The result is:
Partition coefficients n-octanol/water of Serenol: log Pow = 4.0 and 4.1
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