Ethyl 2-cyano-2-ethyl-3-methylhexanoate

CAS Registry Number®

100453-11-0
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CAS Name

Ethyl 2-cyano-2-ethyl-3-methylhexanoate

Molecular Formula

C12H21NO2

Molecular Mass

211.30

Cite this Page

Ethyl 2-cyano-2-ethyl-3-methylhexanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=100453-11-0 (retrieved 2024-09-07) (CAS RN: 100453-11-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    97-98 °C @ Press: 2.5 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H21NO2/c1-5-8-10(4)12(6-2,9-13)11(14)15-7-3/h10H,5-8H2,1-4H3

InChIKey

InChIKey=FOGOQVLUCORCHH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Hexanoic acid, 2-cyano-2-ethyl-3-methyl-, ethyl ester
  • Ethyl 2-cyano-2-ethyl-3-methylhexanoate