Registration Dossier
Registration Dossier
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EC number: 915-712-5 | 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:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
- EC Number:
- 257-942-2
- EC Name:
- 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
- Cas Number:
- 52475-86-2
- Molecular formula:
- C14H22O
- IUPAC Name:
- 1-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde
- Reference substance name:
- 1-methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
- EC Number:
- 257-941-7
- EC Name:
- 1-methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
- Cas Number:
- 52474-60-9
- Molecular formula:
- C14H22O
- IUPAC Name:
- 1-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Commercial Name: Precyclemone B
Givaudan Code No.: 8423753
Empirical Formula: C14H22O
Molecular weight: 206.32 g/mol
CAS No.: 52474-60-6; 52475-86-2
Aspect: colourless to pale yellow liquid
Lot No.: SC00011118
Purity: 99.7% (sum of 2 peaks)
Expiration date: February 06, 2015
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 4.8
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- Note: 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 tabluated reference substances logPow 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:
- In the conditions of the test, the chromatograms of Precyclemone B show one peak at an average retention time of 13.484 minutes, corresponding to a partition coefficient (log value) of 4.8. Thereore: Partition coefficient n-octanol/water of Precyclemone B is logPow = 4.8.
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