Hexanoic acid, 2-cyano-, ethyl ester

CAS Registry Number®

7391-39-1
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CAS Name

Hexanoic acid, 2-cyano-, ethyl ester

Molecular Formula

C9H15NO2

Molecular Mass

169.22

Cite this Page

Hexanoic acid, 2-cyano-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7391-39-1 (retrieved 2024-07-08) (CAS RN: 7391-39-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    230-233 °C @ Press: 734 Torr

  • Density (1)

    0.9576 g/cm³ @ Temp: 18 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H15NO2/c1-3-5-6-8(7-10)9(11)12-4-2/h8H,3-6H2,1-2H3

InChIKey

InChIKey=YMUSKLAPOQSFAH-UHFFFAOYSA-N

SMILES

C(C(OCC)=O)(CCCC)C#N

Canonical SMILES

N#CC(C(=O)OCC)CCCC

Other Names for this Substance

  • Hexanoic acid, 2-cyano-, ethyl ester
  • Ethyl 2-cyanohexanoate
  • Ethyl α-cyanohexanoate
  • Ethyl butylcyanoacetate
  • NSC 67981