Basic information
- CAS
72727-60-7- Standard SMILES
CC(O)C(C)(C)CC1CCCCC1- InChIKey
OUINQRJSUSXKFQ-UHFFFAOYSA-N- Molecular formula
- C12H24O
- Average molar mass
- 184.32 g/mol
- Monoisotopic mass
- 184.18271539
Names & identifiers
- Preferred name
- Cyclohexanepropanol, alpha,beta,beta-trimethyl-
- IUPAC
- 4-cyclohexyl-3,3-dimethylbutan-2-ol
- English name
- alpha,beta,beta-trimethylcyclohexanepropanol
- Molecular formula
- C12H24O
- Molecular weight
- 184.31836
Names & synonyms
alpha,beta,beta-TrimethylcyclohexanepropanolEINECS 276-792-9Cyclohexanepropanol, .alpha.,.beta.,.beta.-trimethyl-Cyclohexanepropanol, alpha,beta,beta-trimethyl-DTXSID50888173RefChem:129599DTXCID001027455276-792-972727-60-74-cyclohexyl-3,3-dimethylbutan-2-olOUINQRJSUSXKFQ-UHFFFAOYSA-NNS00062358
Show more names
α,β,β-Trimethylcyclohexane-1-propanol
Database identifiers
- CAS
72727-60-7- PubChem CID
- 175124
- DTXSID
DTXSID50888173- EC Number
- 276-792-9
- Nikkaji
- J296.359K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- EPA Substance Registry System
- Cyclohexanepropanol, .alpha.,.beta.,.beta.-trimethyl- (72727-60-7)
- 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: Cyclohexanepropanol, .alpha.,.beta.,.beta.-trimethyl-
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 InformationCyclohexanepropanol, .alpha.,.beta.,.beta.-trimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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