Basic information
- CAS
72928-14-4- Standard SMILES
CC1=CCCC(C(=O)CC(=O)CC(C)C)C1- InChIKey
QASVIWADBJDQAA-UHFFFAOYSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- 1,3-Hexanedione, 5-methyl-1-(3-methyl-3-cyclohexen-1-yl)-
- IUPAC
- 5-methyl-1-(3-methylcyclohex-3-en-1-yl)hexane-1,3-dione
- English name
- 5-methyl-1-(3-methylcyclohex-3-enyl)hexane-1,3-dione
- Molecular formula
- C14H22O2
- Molecular weight
- 222.32328
Names & synonyms
72928-14-4EINECS 277-053-31,3-Hexanedione, 5-methyl-1-(3-methyl-3-cyclohexen-1-yl)-5-Methyl-1-(3-methyl-3-cyclohexenyl)-1,3-hexanedioneDTXSID80888308RefChem:415000DTXCID4010275885-methyl-1-(3-methylcyclohex-3-en-1-yl)hexane-1,3-dione5-Methyl-1-(3-methylcyclohex-3-enyl)hexane-1,3-dioneSCHEMBL5993083QASVIWADBJDQAA-UHFFFAOYSA-NNS00060538
Show more names
5-Methyl-1-(3-methyl-3-cyclohexen-1-yl)-1,3-hexanedione
Database identifiers
- CAS
72928-14-4- PubChem CID
- 166364
- DTXSID
DTXSID80888308- EC Number
- 277-053-3
- Nikkaji
- J296.393K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Hexanedione, 5-methyl-1-(3-methyl-3-cyclohexen-1-yl)- (72928-14-4)
- 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: 1,3-Hexanedione, 5-methyl-1-(3-methyl-3-cyclohexen-1-yl)-
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 Information1,3-Hexanedione, 5-methyl-1-(3-methyl-3-cyclohexen-1-yl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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