Phenethyl Isobutyrate

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Catalog Number ACM103480
Product Name Phenethyl Isobutyrate
CAS Number 103-48-0
Structure Phenethyl Isobutyrate
Description Phenethyl isobutyrate occurs in peppermint oils. It has a heavy, fruity, blossom odor and is used accordingly in perfume and flavor compositions.
IUPAC Name 2-Phenylethyl 2-methylpropanoate
Synonyms Benzylcarbinyl isobutyrate
Molecular Weight 192.25
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
InChIKey JDQVBGQWADMTAM-UHFFFAOYSA-N
Boiling Point 250 °C
Flash Point 227 °F
Purity 98%+
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
Physical State Liquid
Refractive Index n20/D 1.4873(lit.)

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