4-Hydroxy-2,2-dimethylcyclohexanone
Basic information
- CAS
123214-39-1- Standard SMILES
CC1(C)CC(O)CCC1=O- InChIKey
WJMNRGQKIFUQAB-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 4-Hydroxy-2,2-dimethylcyclohexanone
- IUPAC
- 4-hydroxy-2,2-dimethylcyclohexan-1-one
- English name
- 4-hydroxy-2,2-diMethylcyclohexanone
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
4-Hydroxy-2,2-dimethylcyclohexanone123214-39-14-hydroxy-2,2-dimethylcyclohexan-1-oneMFCD20921481Cyclohexanone, 4-hydroxy-2,2-dimethyl-2,2-Dimethyl-4-hydroxycyclohexanone4-Hydroxy-2,2-dimethyl-cyclohexanoneDTXSID90563417SB84479SY023919DB-295324CS-0338468
Show more names
(+/-)-4-Hydroxy-2,2-diMethyl-1-cyclohexanone
F30863F325332
Database identifiers
- CAS
123214-39-1- PubChem CID
- 14733009
- DTXSID
DTXSID90563417
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 229.8 · 229.8±33.0℃ (760 Torr)
- Density
- 1.027 · 1.027±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 93.1 · 93.1±18.0℃
- pka
- 14 · 14+-.0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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