Diethyl fumarate

CAS Registry Number®

623-91-6

CAS Name

Diethyl fumarate

Molecular Formula

C8H12O4

Molecular Mass

172.18

Cite this Page

Diethyl fumarate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=623-91-6 (retrieved 2024-11-25) (CAS RN: 623-91-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    218.5 °C

  • Melting Point (1)

    0.6 °C

  • Density (1)

    1.0529 g/cm³

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+

InChIKey

InChIKey=IEPRKVQEAMIZSS-AATRIKPKSA-N

SMILES

C(/C=C/C(OCC)=O)(OCC)=O

Canonical SMILES

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

Other Names for this Substance

  • 2-Butenedioic acid (2E)-, 1,4-diethyl ester
  • Fumaric acid, diethyl ester
  • 2-Butenedioic acid (E)-, diethyl ester
  • 2-Butenedioic acid (2E)-, diethyl ester
  • Diethyl fumarate

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