Linalyl butyrate

Catalog	ACM78364
CAS	78-36-4
Structure
Synonyms	Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
IUPAC Name	3,7-Dimethylocta-1,6-dien-3-yl butanoate
Molecular Weight	224.34
Molecular Formula	C14H24O2
Canonical SMILES	CCCC(=O)OC(C)(CCC=C(C)C)C=C
InChI	InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
InChI Key	FHLGUOHLUFIAAA-UHFFFAOYSA-N
Boiling Point	80-82 °C
Flash Point	218 °F
Purity	95%+
Density	0.892 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohols and oils, slightly soluble in water
Exact Mass	224.177630004
Monoisotopic Mass	224.177630004
Odor	Heavy-fruity, sweet, pear-like odor
Physical State	Liquid
Refractive Index	n20/D 1.45(lit.)
Topological Polar Surface Area	26.3 Ų