Linalyl isobutyrate

Catalog	ACM78353
CAS	78-35-3
Structure
Description	Linalyl Isobutyrate is a flavoring agent that is a liquid, slightly yellow in color with a fruity odor. it is miscible in alcohol, ether, and chloroform, and insoluble in water. it is obtained by chemical synthesis. it is also termed 3,7-dimethyl-2,6-octadien-3-yl isobutrate.
Synonyms	1,5-Dimethyl-1-vinylhex-4-enylisobutyrat
IUPAC Name	3,7-Dimethylocta-1,6-dien-3-yl 2-methylpropanoate
Molecular Weight	224.34
Molecular Formula	C14H24O2
Canonical SMILES	CC(C)C(=O)OC(C)(CCC=C(C)C)C=C
InChI	InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
InChI Key	JZIARAQCPRDGAC-UHFFFAOYSA-N
Boiling Point	305.75 °C
Flash Point	73.3°C
Purity	95%+
Density	1.0013 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; miscible with alcohol and ether
Appearance	Colorless to pale yellow clear liquid (est)
Exact Mass	224.177630004
Monoisotopic Mass	224.177630004
Odor	Sweet, fresh, rosy odor
Physical State	Liquid
Refractive Index	n20/D 1.4576(lit.)
Topological Polar Surface Area	26.3 Ų