Substance
- Substance Name: 3,5,5-trimethyl-2-cyclohexen-1-one
- Formula: C9H14O
- Molecular Weight: 138.21 g/mol
- Identifiers:
- inchi: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
- inchikey: HJOVHMDZYOCNQW-UHFFFAOYSA-N
- casrn: 78-59-1
- csmiles: CC1=CC(=O)CC(C1)(C)C
- ismiles: CC1=CC(=O)CC(C1)(C)C
- pubchemId: 6544
- iupacname: 3,5,5-trimethylcyclohex-2-en-1-one
- wikidataId: Q415519
- chemspiderId: 6296
- dsstoxcmpId: DTXCID40759
- chemblId: CHEMBL1882894
- ecnumber: 201-126-0
3,5,5-trimethyl-2-cyclohexen-1-one
Systems and Datasets
- water + cyclohexanone + 3,5,5-trimethyl-2-cyclohexen-1-one (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.7b00787 (Dataseries: 3, Datapoints: 24, Quantity: Mass fraction)
- cyclohexene + cyclohexanol + 3,5,5-trimethyl-2-cyclohexen-1-one (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.8b00273 (Dataseries: 1, Datapoints: 21, Quantity: Mole fraction)
- 3,5,5-trimethyl-2-cyclohexen-1-one + 2-furaldehyde + water (Datasets: 1)
- Dataset 9 in paper 10.1021/je100706u (Dataseries: 1, Datapoints: 1, Quantity: Mass fraction)