Basic information
- CAS
68084-50-4- Standard SMILES
CCC(=O)/C=C/C1C(C)CCCC1(C)C- InChIKey
VPKMGDRERYMTJX-CMDGGOBGSA-N- Molecular formula
- C14H24O
- Average molar mass
- 208.34 g/mol
- Monoisotopic mass
- 208.18271539
Names & identifiers
- Preferred name
- 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, dihydro deriv.
- IUPAC
- (E)-1-(2,2,6-trimethylcyclohexyl)pent-1-en-3-one
- English name
- Dihydromethyl-alpha-ionone
- Molecular formula
- C14H24O
- Molecular weight
- 208.34
Names & synonyms
1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, dihydro deriv.68084-50-4RefChem:76895SCHEMBL21989272
Database identifiers
- CAS
68084-50-4- PubChem CID
- 6437293
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- LogP
- 4.679 · 4.679 (est)
- EPA Substance Registry System
- 1 · 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, dihydro deriv. (68084-50-4)
- 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: 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, dihydro derivative
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 Information1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, dihydro deriv.: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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