cis-p-Menth-2-en-1-ol
Basic information
- CAS
29803-81-4- Standard SMILES
CC(C)[C@@H]1C=C[C@@](C)(O)CC1- InChIKey
IZXYHAXVIZHGJV-NXEZZACHSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
(1S,4R)-4-isopropyl-1-methylcyclohex-2-en-1-ol has been reported in Sequoia sempervirens, Zanthoxylum schinifolium, and other organisms with data available.
Names & identifiers
- Preferred name
- cis-p-Menth-2-en-1-ol
- IUPAC
- (1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol
- English name
- trans-4-(isopropyl)-1-methylcyclohex-2-en-1-ol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
cis-p-menth-2-en-1-ol(1S,4R)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol29803-81-4RefChem:1081974trans-4-Isopropyl-1-methyl-2-cyclohexen-1-oltrans-p-menth-2-en-1-olSCHEMBL2582664(1S,4R)-1-methyl-4-(propan-2-yl)cyclohex-2-en-1-olDTXSID90881244NS00051133(1s,4r)-4-isopropyl-1-methyl-2-cyclohexen-1-ol(E)-para-2-menthen-1-ol
Show more names
trans-para-2-menthen-1-oltrans-4-(isopropyl)-1-methylcyclohex-2-en-1-ol2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-
Database identifiers
- CAS
29803-81-4- PubChem CID
- 5319367
- DTXSID
DTXSID90881244- EC Number
- 249-859-5
- Nikkaji
- J281.618K
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 160
Physicochemical properties
- Boiling point
- 78 · 78-79 °C(Press: 4 Torr)
- Density
- 0.922 · 0.922±0.06 g/cm3(Predicted)
- pka
- 14.76 · 14.76±0.40(Predicted)
- LogP
- 2.884 · 2.884 (est)
- EPA Substance Registry System
- 2 · 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel- (29803-81-4)
- TSCA
- TSCA listed
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-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…