Geranyl isovalerate

Catalog	ACM109206
CAS	109-20-6
Structure
Description	Geranyl Isovalerate is a synthetic flavoring agent that is a moderately stable, Light yellow liquid of fruity odor. it should be stored in glass or tin containers. it is used in fruit flavors such as apple or pear with applications in beverages, ice cream, candy, and baked goods at 4-11 ppm.
Synonyms	Geranyl 3-methylbutanoate
IUPAC Name	[(2E)-3,7-Dimethylocta-2,6-dienyl] 3-methylbutanoate
Molecular Weight	238.37
Molecular Formula	C15H26O2
Canonical SMILES	CC(C)CC(=O)OCC=C(C)CCC=C(C)C
InChI	InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
InChI Key	SOUKTGNMIRUIQN-NTEUORMPSA-N
Boiling Point	279 °C
Flash Point	113 °C
Purity	98%+
Density	0.89 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol, most fixed oils; insoluble in water
Appearance	Colorless liquid
Exact Mass	238.193280068
Isomeric SMILES	CC(C)CC(=O)OC/C=C(\C)/CCC=C(C)C
Monoisotopic Mass	238.193280068
Physical State	Oily liquid
Refractive Index	n20/D 1.458(lit.)
Topological Polar Surface Area	26.3 Ų