Product Name
Phenethyl butyrate
Category
Heterocyclic Organic Compound
Synonyms
Butanoic acid, 2-phenylethyl ester
IUPAC Name
2-Phenylethyl butanoate
Molecular Formula
C12H16O2
Canonical SMILES
CCCC(=O)OCCC1=CC=CC=C1
InChI
InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChI Key
WFNDDSQUKATKNX-UHFFFAOYSA-N
Density
0.994 g/mL at 25 °C(lit.)
Solubility
water, 44.15 mg/L @ 25 °C (est)
Appearance
Colorless liquid; warm, floral and fruity odour
Monoisotopic Mass
192.115029749
Refractive Index
n20/D 1.49(lit.)
Topological Polar Surface Area
26.3 Ų