Products 78-59-1

CAS 78-59-1 appears in our catalog under these names: Isophorone, >95% (HPLC), Isophorone, Isophorone/ 98%, Isophorone, 97% , Isophorone, >97.0%(GC). Offered by: TRC, Dr. Ehrenstorfer, TargetMol, GLPBio, Thermo Scientific (Alfa Aesar). Available pack sizes: 10g, 1ml, 25g, 500mg, 2500ml, 250ml, 500ml, 5kg.

Structural formula: {0} (CAS {1})

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.

Source: ChEBI

Identity
Molecular formulaC9H14O
Molecular weight138.21 g/mol
IUPAC name3,5,5-trimethylcyclohex-2-en-1-one
InChIKeyHJOVHMDZYOCNQW-UHFFFAOYSA-N
SMILESCC1=CC(=O)CC(C1)(C)C

Computed by PubChem (NCBI)