5-Methyl-2-hepten-4-one

Catalog	ACM81925817
CAS	81925-81-7
Structure
Synonyms	Filbert heptenone
IUPAC Name	(E)-5-Methylhept-2-en-4-one
Molecular Weight	126.2
Molecular Formula	C8H14O
Canonical SMILES	CCC(C)C(=O)C=CC
InChI	InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+
InChI Key	ARJWAURHQDJJAC-GQCTYLIASA-N
Boiling Point	170 °C
Melting Point	-66.9 °C
Flash Point	126 °F
Purity	98%+
Density	0.845 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in water; soluble in oils
Exact Mass	126.104465066
Isomeric SMILES	CCC(C)C(=O)/C=C/C
Monoisotopic Mass	126.104465066
Physical State	Liquid
Refractive Index	n20/D 1.444(lit.)
Topological Polar Surface Area	17.1 Ų