1,3-Diethyl 1,3-benzenedicarboxylate

CAS Registry Number®

636-53-3
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CAS Name

1,3-Diethyl 1,3-benzenedicarboxylate

Molecular Formula

C12H14O4

Molecular Mass

222.24

Cite this Page

1,3-Diethyl 1,3-benzenedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=636-53-3 (retrieved 2024-05-02) (CAS RN: 636-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    302 °C @ Press: 760 Torr

  • Melting Point (1)

    11.5 °C

  • Density (1)

    1.1239 g/cm³ @ Temp: 17 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C12H14O4/c1-3-15-11(13)9-6-5-7-10(8-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

InChIKey

InChIKey=JLVWYWVLMFVCDI-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC(C(OCC)=O)=CC=C1

Canonical SMILES

O=C(OCC)C1=CC=CC(=C1)C(=O)OCC

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 1,3-diethyl ester
  • Isophthalic acid, diethyl ester
  • 1,3-Benzenedicarboxylic acid, diethyl ester
  • 1,3-Diethyl 1,3-benzenedicarboxylate
  • Diethyl isophthalate

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