1-Octen-3-one

CAS	4312-99-6
Structure
Synonyms	Vinyl amyl ketone
IUPAC Name	Oct-1-en-3-one
Molecular Weight	126.2
Canonical SMILES	CCCCCC(=O)C=C
InChI	InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
InChI Key	KLTVSWGXIAYTHO-UHFFFAOYSA-N
Boiling Point	174-182 °C
Purity	98%+
Density	0.833 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; miscible in oils
Exact Mass	126.104465066
Monoisotopic Mass	126.104465066
Odor	Mushroom odor
Physical State	Liquid
Refractive Index	n20/D 1.4359(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	17.1 Ų