4-Oxoisophorone

CAS	1125-21-9
Structure
Synonyms	3,5,5-Trimethyl-2-cyclohexene-1,4-dione
IUPAC Name	2,6,6-Trimethylcyclohex-2-ene-1,4-dione
Molecular Weight	152.19
Canonical SMILES	CC1=CC(=O)CC(C1=O)(C)C
InChI	InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChI Key	AYJXHIDNNLJQDT-UHFFFAOYSA-N
Boiling Point	222 °C
Melting Point	26-28 °C
Flash Point	201 °F
Purity	98%+
Exact Mass	152.083729621
Monoisotopic Mass	152.083729621
Physical State	Solid
Refractive Index	n20/D 1.491(lit.)
Storage Conditions	Dry place,2-8 °C
Topological Polar Surface Area	34.1 Ų