Basic information
- CAS
7500-42-7- Standard SMILES
CC1(C)CCCC(C)(O)C1=O- InChIKey
FWCGLHYHGUHPRY-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Overview
2-Hydroxy-2,6,6-trimethylcyclohexanone is a secondary alpha-hydroxy ketone.
Names & identifiers
- Preferred name
- 2,6,6-Trimethyl-2-hydroxycyclohexanone
- IUPAC
- 2-hydroxy-2,6,6-trimethylcyclohexan-1-one
Names & synonyms
2,6,6-trimethyl-2-hydroxycyclohexanone7500-42-72-hydroxy-2,6,6-trimethylcyclohexanoneCyclohexanone, 2-hydroxy-2,6,6-trimethyl-MH0UUM21K0NSC 401666NSC-401666FEMA NO. 45312,6,6-TRIMETHYL-6-HYDROXYCYCLOHEXANONE6-HYDROXY-2,2,6-TRIMETHYLCYCLOHEXANONERefChem:4451412,2,6-Trimethyl-6-hydroxycyclohexanone
Show more names
(+-)-2,6,6-TRIMETHYL-2-HYDROXYCYCLOHEXANONE2-hydroxy-2,6,6-trimethylcyclohexan-1-oneUNII-MH0UUM21K0NSC401666SCHEMBL1244972DTXSID60864084CHEBI:171777AKOS015907431
Database identifiers
- CAS
7500-42-7- PubChem CID
- 101115
- DTXSID
DTXSID60864084- ChEBI
CHEBI:171777- UNII
- MH0UUM21K0
- Nikkaji
- J439.304J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.988-0.994 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point
232.00 to 233.00 °C. @ 760.00 mm Hg
58-65 °C (4 mm Hg)
Refractive Index1.466-1.472
Physical DescriptionColourless liquid; Sweet tobacco-like aroma with herbaceous undertones
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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