| Catalog |
ACM103480 |
| CAS |
103-48-0 |
| Structure |  |
| 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 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 |
| InChI Key |
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 |
| Exact Mass |
192.115029749 |
| Monoisotopic Mass |
192.115029749 |
| Physical State |
Liquid |
| Refractive Index |
n20/D 1.4873(lit.) |
| Topological Polar Surface Area |
26.3 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.
