1-Phenylethyl 3-methylbutanoate

CAS Registry Number®

56961-73-0

CAS Name

1-Phenylethyl 3-methylbutanoate

Molecular Formula

C13H18O2

Molecular Mass

206.28

Cite this Page

1-Phenylethyl 3-methylbutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56961-73-0 (retrieved 2024-11-25) (CAS RN: 56961-73-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H18O2/c1-10(2)9-13(14)15-11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3

InChIKey

InChIKey=WYWVAOQKWGNZHN-UHFFFAOYSA-N

SMILES

C(OC(CC(C)C)=O)(C)C1=CC=CC=C1

Canonical SMILES

O=C(OC(C=1C=CC=CC1)C)CC(C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 1-phenylethyl ester
  • 1-Phenylethyl 3-methylbutanoate

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