Registration Dossier
Registration Dossier
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EC number: 265-747-9 | CAS number: 65405-84-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- January 9th, 2004 to January 23rd, 2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline 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 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- α,2,6,6-tetramethyl-2-cyclohexene-1-butyraldehyde
- EC Number:
- 277-458-5
- EC Name:
- α,2,6,6-tetramethyl-2-cyclohexene-1-butyraldehyde
- Cas Number:
- 73398-85-3
- Molecular formula:
- C14H24O
- IUPAC Name:
- 2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanal
- Reference substance name:
- α,2,6,6-tetramethylcyclohexene-1-butyraldehyde
- EC Number:
- 282-993-2
- EC Name:
- α,2,6,6-tetramethylcyclohexene-1-butyraldehyde
- Cas Number:
- 84518-22-9
- Molecular formula:
- C14H24O
- IUPAC Name:
- 2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)butanal
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Test material name (as stated in the report): Cetonal
Batch No.: 9000439021
Expiry date: 28 December, 2004
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 5.5
- Temp.:
- 35 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.4
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- The determination was performed at 35°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 chromatogram shows two unresolved peaks at retention times 15.0 and 15.6 minutes, corresponding to partition coefficients (log values) of 5.4 and 5.5. Therefore:
Partition coefficient n-octanol/water of Cetonal :
- major peak: Log Pow = 5.4
- minor peak: Log Pow = 5.5 - Executive summary:
The Partition Coefficient n-octanol/water of Cetonal was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD guideline No. 117. The chromatogram shows two unresolved peaks at retention times 15.0 and 15.6 minutes, corresponding to partition coefficients (log values) of 5.4 and 5.5. Therefore:
Partition coefficient n-octanol/water of Cetonal :
- major peak: Log Pow = 5.4
- minor peak: Log Pow = 5.5
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