Citronellyl isobutyrate

CAS	97-89-2
Structure
Synonyms	2-Methylpropanoicacid3,7-dimethyl-oct-6-en-1-ylester
IUPAC Name	3,7-Dimethyloct-6-enyl 2-methylpropanoate
Molecular Weight	226.35
Canonical SMILES	CC(C)C(=O)OCCC(C)CCC=C(C)C
InChI	InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3
InChI Key	ZGPPERKMXSGYRK-UHFFFAOYSA-N
Boiling Point	253 °C
Melting Point	-22.4 °C
Flash Point	>230 °F
Purity	95%+
Density	0.875 g/mL at 25 °C(lit.)
Solubility	Miscible with alcohol, chloroform, ether, most fixed oils; insoluble in water
Exact Mass	226.193280068
Monoisotopic Mass	226.193280068
Odor	Rosy-fruity odor
Physical State	Liquid
Refractive Index	n20/D 1.442(lit.)
Topological Polar Surface Area	26.3 Ų