Product Name
Neryl butyrate
Category
Heterocyclic Organic Compound
Synonyms
Butanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester
IUPAC Name
[(2Z)-3,7-Dimethylocta-2,6-dienyl] butanoate
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
Density
0.898 g/mL at 25 °C(lit.)
Solubility
Soluble in alcohol; insoluble in water
Isomeric SMILES
CCCC(=O)OC/C=C(/C)\CCC=C(C)C
Monoisotopic Mass
224.177630004
Odor
Sweet, leafy, floral odor
Refractive Index
n20/D 1.459(lit.)
Topological Polar Surface Area
26.3 Ų