Geranyl hexanoate

Catalog	ACM10032027
CAS	10032-02-7
Structure
Synonyms	Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
IUPAC Name	[(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate
Molecular Weight	252.39
Molecular Formula	C16H28O2
Canonical SMILES	CCCCCC(=O)OCC=C(C)CCC=C(C)C
InChI	InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12+
InChI Key	ARVSCQUZFFSNKF-NTCAYCPXSA-N
Boiling Point	335.57 °C
Flash Point	93 °C
Purity	95%+
Density	0.892 g/mL at 25 °C(lit.)
Exact Mass	252.208930132
Isomeric SMILES	CCCCCC(=O)OC/C=C(\C)/CCC=C(C)C
Monoisotopic Mass	252.208930132
Odor	Rose-geranium, pineapple, banana odor
Physical State	Liquid
Refractive Index	n20/D1.462(lit.)
Topological Polar Surface Area	26.3 Ų