Registration Dossier
Registration Dossier
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EC number: 262-038-6 | CAS number: 60047-17-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2000
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP compliant study conducted according to OECD Guidelines, with no or minor deviations.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 000
- Report date:
- 2010
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)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-(tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol
- EC Number:
- 262-038-6
- EC Name:
- 2-(tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol
- Cas Number:
- 60047-17-8
- Molecular formula:
- C10H18O2
- IUPAC Name:
- 2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol
- Test material form:
- other: Liquid
- Details on test material:
- Batch 9000378938
Cis isomer 48.7%
Trans isomer 49.3%
Please note that although the substance is described in the report with the IUPAC name: 2-METHYL-2-VINYL-5-(1-HYDROXY-1-METHYLETHYL)TETRA-HYDROFURAN related to the CAS number 1365-19-1, recent analytical data had been determined the substance to be a multi-constituent 2-(tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol related to the CAS number 60047-17-8.
As the chemical manufacturing process has not changed since the report was written, the recent analytical information is relevant to the batch which was tested.
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 1.6
- Temp.:
- 35 °C
- pH:
- 7
- Remarks on result:
- other: isomer 1
- Type:
- log Pow
- Partition coefficient:
- 1.8
- Temp.:
- 35 °C
- pH:
- 7
- Remarks on result:
- other: isomer 2
- Details on results:
- Testing 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:
- Partition Coefficients n-octanol/water of LINALOOL OXIDE:
Isomer 1: 1.6
Isomer 2: 1.8
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