3-Phenylpropyl 3-methylbutanoate

CAS Registry Number®

5452-07-3

CAS Name

3-Phenylpropyl 3-methylbutanoate

Molecular Formula

C14H20O2

Molecular Mass

220.31

Cite this Page

3-Phenylpropyl 3-methylbutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5452-07-3 (retrieved 2024-11-25) (CAS RN: 5452-07-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3

InChIKey

InChIKey=LBNFCOMOXOWXCD-UHFFFAOYSA-N

SMILES

C(CCOC(CC(C)C)=O)C1=CC=CC=C1

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 3-phenylpropyl ester
  • 3-Phenylpropyl 3-methylbutanoate
  • NSC 21901
  • 3-Phenylpropyl isovalerate

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