3-Methyl-5-propyl-2-cyclohexen-1-one

CAS	3720-16-9
Structure
Synonyms	Celery ketone
IUPAC Name	3-Methyl-5-propylcyclohex-2-en-1-one
Molecular Weight	152.23
Canonical SMILES	CCCC1CC(=CC(=O)C1)C
InChI	InChI=1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3
InChI Key	URQMEZRQHLCJKR-UHFFFAOYSA-N
Boiling Point	110-113 °C
Purity	95%+
Density	0.904±0.06 g/cm³
Solubility	Insoluble in water; soluble in ether and oils
Exact Mass	152.12011513
Monoisotopic Mass	152.12011513
Physical State	Liquid
Refractive Index	n20/D 1.481-1.486(lit.)
Topological Polar Surface Area	17.1 Ų