2,6,6-Trimethylcyclohex-2-ene-1-methanol
Basic information
- CAS
6627-74-3- Standard SMILES
CC1=CCCC(C)(C)C1CO- InChIKey
WFBRXMMODZGJPF-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
alpha-cyclogeraniol has been reported in Prunus avium with data available.
Names & identifiers
- Preferred name
- 2,6,6-Trimethylcyclohex-2-ene-1-methanol
- IUPAC
- (2,6,6-trimethylcyclohex-2-en-1-yl)methanol
- English name
- 2,6,6-trimethylcyclohex-2-ene-1-methanol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
6627-74-3(2,6,6-trimethylcyclohex-2-en-1-yl)methanol2,6,6-Trimethylcyclohex-2-ene-1-methanolalpha-CyclogeraniolEINECS 229-598-3.alpha.-Cyclogeraniol2-Cyclohexene-1-methanol, 2,6,6-trimethyl-NSC 60225(2,6,6-Trimethyl-2-cyclohexen-1-yl)methanolRefChem:83050229-598-3WFBRXMMODZGJPF-UHFFFAOYSA-N
Show more names
α-Cyclogeraniol-Cyclogeraniol
2,6,6-trimethyl-2-cyclohexene-1-methanolNSC-60225NSC60225D5QPL5T97WSCHEMBL4668057DTXSID90871165NS00045901Q67879669
Database identifiers
- CAS
6627-74-3- PubChem CID
- 97932
- DTXSID
DTXSID90871165- UNII
- D5QPL5T97W
- EC Number
- 229-598-3
- Nikkaji
- J13.361B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 215 °C · 215°C (estimate)
- Density
- 0.9382 · 0.9382
- refractive index
- 1.4843 · 1.4843
- pka
- 14.87 · 14.87±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Cyclohexene-1-methanol, 2,6,6-trimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Applications
UsesNatural product; terpenol; geranol rearrangement product. Synthetic building block. It can also be used in biological study of analysis on fruit aromatic compounds of four seedless grape and their parents.
Related reactions
1 records
Compound notes
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