Neryl butyrate

Catalog	ACM999406
CAS	999-40-6
Synonyms	Butanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester
IUPAC Name	[(2Z)-3,7-Dimethylocta-2,6-dienyl] butanoate
Molecular Weight	224.34
Molecular Formula	C14H24O2
Canonical SMILES	CCCC(=O)OCC=C(C)CCC=C(C)C
InChI	InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10-
InChI Key	ZSBOMYJPSRFZAL-RAXLEYEMSA-N
Boiling Point	240 °C
Flash Point	>230 °F
Purity	95%+
Density	0.898 g/mL at 25 °C(lit.)
Solubility	Soluble in alcohol; insoluble in water
Exact Mass	224.177630004
Isomeric SMILES	CCCC(=O)OC/C=C(/C)\CCC=C(C)C
Monoisotopic Mass	224.177630004
Odor	Sweet, leafy, floral odor
Physical State	Liquid
Refractive Index	n20/D 1.459(lit.)
Topological Polar Surface Area	26.3 Ų