
Isophorone
Isophorone is a cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at positions 3, 5 and 5. It has a role as a solvent and a plant metabolite. It is a cyclic ketone and an enone. — ChEBI
- IUPAC name
- 3,5,5-trimethylcyclohex-2-en-1-one
- Molecular formula
- C9H14O
- Molecular weight
- 138.21 g/mol
- Exact mass
- 138.104465066 Da
- XLogP3
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:34800
- ChEMBL:CHEMBL1882894
- EPA DTXSID:DTXSID8020759
- PubMed:22654407
- PubMed:22580102
- PubMed:22497266
- PubMed:22239061
- PubMed:22125591
- PubMed:21767854
- PubMed:21523115
- PubMed:21447151
- PubMed:21074486
- PubMed:20189298
- PubMed:19803142
- PubMed:19754049
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.