Triethyl aconitate

CAS Registry Number®

5349-99-5

CAS Name

Triethyl aconitate

Molecular Formula

C12H18O6

Molecular Mass

258.27

Cite this Page

Triethyl aconitate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5349-99-5 (retrieved 2024-11-22) (CAS RN: 5349-99-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    124-126 °C @ Press: 0.7 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3

InChIKey

InChIKey=IDDWGDKSBYYEPL-UHFFFAOYSA-N

SMILES

C(CC(OCC)=O)(=CC(OCC)=O)C(OCC)=O

Canonical SMILES

O=C(OCC)C=C(C(=O)OCC)CC(=O)OCC

Other Names for this Substance

  • 1-Propene-1,2,3-tricarboxylic acid, 1,2,3-triethyl ester
  • 1-Propene-1,2,3-tricarboxylic acid, triethyl ester
  • Aconitic acid, triethyl ester
  • Triethyl aconitate
  • Ethyl aconitate

CAS INSIGHTSTM
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