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-methylhexanoateMolecular Formula
C12H21NO2Molecular Mass
211.30Cite 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 ) (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