Cyclohexanol, 3,3-dimethyl-
Basic information
- CAS
767-12-4- Standard SMILES
CC1(C)CCCC(O)C1- InChIKey
DQBDGNSFXSCBJX-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- Cyclohexanol, 3,3-dimethyl-
- IUPAC
- 3,3-dimethylcyclohexan-1-ol
- English name
- 3,3-dimethylcyclohexan-1-ol
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
3,3-Dimethylcyclohexanol767-12-4Cyclohexanol, 3,3-dimethyl-DTXSID50870770RefChem:129628DTXCID40818464DQBDGNSFXSCBJX-UHFFFAOYSA-N3,3-dimethylcyclohexan-1-olCyclohexanol,3,3-dimethyl-MFCD000454913,3-dimethyl cyclohexanol3,3-dimethyl-cyclohexanol
Show more names
SCHEMBL279583,3-DimethylA-cycloA-hexanolSCHEMBL4169755SCHEMBL9169572SCHEMBL23824763SCHEMBL28993720AAA76712EX-A3411
Database identifiers
- CAS
767-12-4- PubChem CID
- 79105
- DTXSID
DTXSID50870770- EC Number
- 867-479-3
- Nikkaji
- J421.530C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.7
Physicochemical properties
- Melting point
- 11.5 °C · 11.5°C
- Boiling point
- 182.85 °C · 182.85°C
- Density
- 0.9128 · 0.9128
- refractive index
- 1.4606 · 1.4606
- storage temp.
- Store at room temperature
- pka
- 15.33 · 15.33±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
- LogP
- 2.198 · 2.198 (est)
- EPA Substance Registry System
- 3 · Cyclohexanol, 3,3-dimethyl- (767-12-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P
- 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.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 3,3-dimethyl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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