Registration Dossier
Registration Dossier
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EC number: 273-868-3 | CAS number: 69103-01-1
Physical & Chemical properties
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:
- 2 009
- Report date:
- 2009
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)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- p-menth-1-en-8-yl acetate
- EC Number:
- 201-265-7
- EC Name:
- p-menth-1-en-8-yl acetate
- Cas Number:
- 80-26-2
- Molecular formula:
- C12H20O2
- IUPAC Name:
- 1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
- Reference substance name:
- Myrcenyl acetate
- EC Number:
- 214-262-0
- EC Name:
- Myrcenyl acetate
- Cas Number:
- 1118-39-4
- Molecular formula:
- C12H20O2
- IUPAC Name:
- 1,1-dimethyl-5-methylenehept-6-en-1-yl acetate
- Reference substance name:
- (E)-2-(3,3-dimethylcyclohexylidene)ethyl acetate
- EC Number:
- 308-183-1
- EC Name:
- (E)-2-(3,3-dimethylcyclohexylidene)ethyl acetate
- Cas Number:
- 97890-04-5
- Molecular formula:
- C12H20O2
- IUPAC Name:
- (E)-2-(3,3-dimethylcyclohexylidene)ethyl acetate
- Reference substance name:
- (Z)-2-(3,3-dimethylcyclohexylidene)ethyl acetate
- EC Number:
- 308-184-7
- EC Name:
- (Z)-2-(3,3-dimethylcyclohexylidene)ethyl acetate
- Cas Number:
- 97890-05-6
- Molecular formula:
- C12H20O2
- IUPAC Name:
- (Z)-2-(3,3-dimethylcyclohexylidene)ethyl acetate
- Reference substance name:
- Geranyl acetate
- EC Number:
- 203-341-5
- EC Name:
- Geranyl acetate
- Cas Number:
- 105-87-3
- Molecular formula:
- C12H20O2
- IUPAC Name:
- (E)-3,7-dimethylocta-2,6-dien-1-yl acetate
- Reference substance name:
- 1-methyl-4-(1-methylethylidene)cyclohexyl acetate
- EC Number:
- 233-564-3
- EC Name:
- 1-methyl-4-(1-methylethylidene)cyclohexyl acetate
- Cas Number:
- 10235-63-9
- Molecular formula:
- C12H20O2
- IUPAC Name:
- 4-isopropylidene-1-methylcyclohexyl acetate
- Reference substance name:
- 4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methylpent-3-enyl)cyclohexene
- EC Number:
- 208-546-3
- EC Name:
- 4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methylpent-3-enyl)cyclohexene
- Cas Number:
- 532-87-6
- Molecular formula:
- C20H32
- IUPAC Name:
- 4-(5-methyl-1-methylenehex-4-en-1-yl)-1-(4-methylpent-3-en-1-yl)cyclohexene
- Reference substance name:
- cis-1-methyl-4-(1-methylvinyl)cyclohexyl acetate
- EC Number:
- 244-028-3
- EC Name:
- cis-1-methyl-4-(1-methylvinyl)cyclohexyl acetate
- Cas Number:
- 20777-47-3
- Molecular formula:
- C12H20O2
- IUPAC Name:
- 4-isopropenyl-1-methylcyclohexyl acetate
- Reference substance name:
- p-menth-1-en-8-ol
- EC Number:
- 202-680-6
- EC Name:
- p-menth-1-en-8-ol
- Cas Number:
- 98-55-5
- Molecular formula:
- C10H16O
- IUPAC Name:
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
- Reference substance name:
- Neryl acetate
- EC Number:
- 205-459-2
- EC Name:
- Neryl acetate
- Cas Number:
- 141-12-8
- Molecular formula:
- C12H20O2
- IUPAC Name:
- (Z)-3,7-dimethylocta-2,6-dien-1-yl acetate
- Reference substance name:
- 1-(3,3-dimethylcyclohex-1-en-1-yl)ethyl acetate
- Cas Number:
- 150461-96-4
- Molecular formula:
- C12H20O2
- IUPAC Name:
- 1-(3,3-dimethylcyclohex-1-en-1-yl)ethyl acetate
- Reference substance name:
- Tentative monoterpene diacetate
- IUPAC Name:
- Tentative monoterpene diacetate
- Reference substance name:
- Tentative oxygenated monoterpene acetate
- IUPAC Name:
- Tentative oxygenated monoterpene acetate
- Reference substance name:
- Tentative Diterpene hydrocarbon
- IUPAC Name:
- Tentative Diterpene hydrocarbon
- Reference substance name:
- Unresolved/non-elucidated mixed terpene/diterpene/oxygenated terpene/terpene acetate derivatives
- IUPAC Name:
- Unresolved/non-elucidated mixed terpene/diterpene/oxygenated terpene/terpene acetate derivatives
- Test material form:
- liquid
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Constituent 5
Constituent 6
Constituent 7
Constituent 8
Constituent 9
Constituent 10
Constituent 11
Constituent 12
Constituent 13
Constituent 14
Constituent 15
- Specific details on test material used for the study:
- Commercial Name: Neobergamate Forte
Givaudan Code No.: 0014073
Chemical Nature: Acetic acid esters of the Turpentine-oil Myrcene fraction Terpene alcohols
Emperical Formula: C12H20O2
Molecular weight: 196.3 g/mol
CAS No.: 69103-01-1
Aspect: Pale yellow liquid
Lot No.: VE00000311
Expiration date: November 13, 2010
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.9 - 4.1
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- Note: 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:
- The Partition Coefficient n-octanol/water of Neobergamate Forte was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117. The chromatograms show six main peaks.
The result is:
Partition coefficients n-octanol/water of Neobergamate Forte: logPow = 2.9, 3.7, 3.9, 3.9, 4.0 and 4.1.
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