4-Hexen-3-one

Catalog	ACM2497214
CAS	2497-21-4
Structure
Synonyms	2-Hexene-4-one
IUPAC Name	(E)-Hex-4-en-3-one
Molecular Weight	98.14
Molecular Formula	C6H10O
Canonical SMILES	CCC(=O)C=CC
InChI	InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+
InChI Key	FEWIGMWODIRUJM-HWKANZROSA-N
Boiling Point	135-137 °C
Melting Point	-71.05 °C
Flash Point	94 °F
Purity	95%+
Density	0.858 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in water; soluble in oil
Exact Mass	98.073164938
Isomeric SMILES	CCC(=O)/C=C/C
Monoisotopic Mass	98.073164938
Physical State	Liquid
Refractive Index	n20/D 1.44(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	17.1 Ų