Ethyl 2-cyano-3-methyl-2-hexenoate

CAS Registry Number®

759-54-6
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CAS Name

Ethyl 2-cyano-3-methyl-2-hexenoate

Molecular Formula

C10H15NO2

Molecular Mass

181.23

Cite this Page

Ethyl 2-cyano-3-methyl-2-hexenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=759-54-6 (retrieved 2024-09-12) (CAS RN: 759-54-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    138-139 °C @ Press: 19 Torr

  • Melting Point (2)

    125-126 °C

  • Density (3)

    0.9335 g/cm³ @ Temp: 85.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H15NO2/c1-4-6-8(3)9(7-11)10(12)13-5-2/h4-6H2,1-3H3

InChIKey

InChIKey=WSQKZATUBMGUQX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Hexenoic acid, 2-cyano-3-methyl-, ethyl ester
  • Ethyl 2-cyano-3-methyl-2-hexenoate
  • NSC 408230
  • 2-Cyano-3-methyl-hex-2-enoic acid ethyl ester