Product Name
Phenethyl Isobutyrate
Category
Heterocyclic Organic Compound
Description
Phenethyl isobutyrate occurs in peppermint oils. It has a heavy, fruity, blossom odor and is used accordingly in perfume and flavor compositions.
Synonyms
Benzylcarbinyl isobutyrate
IUPAC Name
2-Phenylethyl 2-methylpropanoate
Molecular Formula
C12H16O2
Canonical SMILES
CC(C)C(=O)OCCC1=CC=CC=C1
InChI
InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI Key
JDQVBGQWADMTAM-UHFFFAOYSA-N
Density
0.988 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; soluble in oils
Appearance
Colourless to slighty yellow liquid; fruity-rosy odour
Monoisotopic Mass
192.115029749
Refractive Index
n20/D 1.4873(lit.)
Topological Polar Surface Area
26.3 Ų
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