3-Octen-2-one

Catalog	ACM1669449
CAS	1669-44-9
Structure
Synonyms	Hex-1-enyl methyl ketone
IUPAC Name	(E)-Oct-3-en-2-one
Molecular Weight	126.2
Molecular Formula	C8H14O
Canonical SMILES	CCCCC=CC(=O)C
InChI	InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChI Key	ZCFOBLITZWHNNC-VOTSOKGWSA-N
Boiling Point	100 °C
Melting Point	-66.9 °C
Flash Point	130 °F
Purity	98%+
Density	0.857 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oil
Exact Mass	126.104465066
Isomeric SMILES	CCCC/C=C/C(=O)C
Monoisotopic Mass	126.104465066
Physical State	Liquid
Refractive Index	n20/D 1.448(lit.)
Topological Polar Surface Area	17.1 Ų