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EC number: 947-279-3 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- December 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), 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:
- rel-(3R,3aS,7S,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene
- Cas Number:
- 22567-43-7
- Molecular formula:
- C15H24
- IUPAC Name:
- rel-(3R,3aS,7S,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene
- Reference substance name:
- rel-(3R,3aR,7R,8aS)-3,8,8-trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene
- Cas Number:
- 1404220-60-5
- Molecular formula:
- C15H24
- IUPAC Name:
- rel-(3R,3aR,7R,8aS)-3,8,8-trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene
- Reference substance name:
- rel-(3R,3aS,7S,8aS)-3,8,8-trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene
- Cas Number:
- 65450-98-8
- Molecular formula:
- C15H24
- IUPAC Name:
- rel-(3R,3aS,7S,8aS)-3,8,8-trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene
- Reference substance name:
- rel-(1R,9S,E)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- Cas Number:
- 17627-40-6
- Molecular formula:
- C15H24
- IUPAC Name:
- rel-(1R,9S,E)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- Reference substance name:
- rel-(1aR,4aR,8aR)-2,4a,8,8-tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene
- Cas Number:
- 32435-95-3
- Molecular formula:
- C15H24
- IUPAC Name:
- rel-(1aR,4aR,8aR)-2,4a,8,8-tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene
- Reference substance name:
- 1,8-dimethyl-4-(propan-2-ylidene)spiro[4.5]dec-7-ene
- Molecular formula:
- C15H24
- IUPAC Name:
- 1,8-dimethyl-4-(propan-2-ylidene)spiro[4.5]dec-7-ene
- Reference substance name:
- 1-methyl-4-(1,2,2-trimethylcyclopentyl)benzene
- Cas Number:
- 51773-81-0
- Molecular formula:
- C15H22
- IUPAC Name:
- 1-methyl-4-(1,2,2-trimethylcyclopentyl)benzene
- Test material form:
- liquid
- Details on test material:
- UVCB
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
Constituent 6
Constituent 7
- Specific details on test material used for the study:
- UVCB substance.
Batch number SH00085512
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 2.7
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 3
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 4.3
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 4.6
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 4.8
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 5
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 5.1
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 6.3
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 6.6
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 7.1
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 7.3
- Temp.:
- 20 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- 7.4
- Temp.:
- 20 °C
- pH:
- 7
Applicant's summary and conclusion
- Executive summary:
The Partition Coefficient n-octanol/water of Cedrene washed was determined by the Revese Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.
The result is:
Partition coefficients n-octanol/water of Cedrene washed:
log Pow = 2.7 ; 3.0 ; 4.3 ; 4.4 ; 4.6 ; 4.8 ; 5.0 ; 5.1 ; 6.3* ; 6.6* ; 7.1* ; 7.3* ; and 7.4*
*indicative values, peaks are outside calibration domain
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