Ethyl γ-cyano-γ-methylbenzenebutanoate

CAS Registry Number®

2572-92-1
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CAS Name

Ethyl γ-cyano-γ-methylbenzenebutanoate

Molecular Formula

C14H17NO2

Molecular Mass

231.29

Cite this Page

Ethyl γ-cyano-γ-methylbenzenebutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2572-92-1 (retrieved 2024-08-30) (CAS RN: 2572-92-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    113-115 °C @ Press: 0.03 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H17NO2/c1-3-17-13(16)9-10-14(2,11-15)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3

InChIKey

InChIKey=PNOOWJWGNVEQPV-UHFFFAOYSA-N

SMILES

C(CCC(OCC)=O)(C#N)(C)C1=CC=CC=C1

Canonical SMILES

N#CC(C=1C=CC=CC1)(C)CCC(=O)OCC

Other Names for this Substance

  • Benzenebutanoic acid, γ-cyano-γ-methyl-, ethyl ester
  • Valeric acid, 4-cyano-4-phenyl-, ethyl ester
  • Ethyl γ-cyano-γ-methylbenzenebutanoate
  • NSC 163289