1-Octen-3-yl butyrate

CAS	16491-54-6
Structure
Synonyms	Butanoic acid 1-octen-3-yl ester
IUPAC Name	Oct-1-en-3-yl butanoate
Molecular Weight	198.3
Canonical SMILES	CCCCCC(C=C)OC(=O)CCC
InChI	InChI=1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3
InChI Key	LZWFXVJBIZIHCH-UHFFFAOYSA-N
Melting Point	225-229 °C
Flash Point	210 °F
Purity	95%+
Density	0.87 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils; slightly soluble in propylene glycol
Exact Mass	198.16197994
Monoisotopic Mass	198.16197994
Odor	Sweet, fruity, buttery, mushroom aroma
Physical State	Liquid
Refractive Index	n20/D 1.4295(lit.)
Topological Polar Surface Area	26.3 Ų