1,3-Diethyl 2-(1-methylbutyl)propanedioate

CAS Registry Number®

117-47-5

CAS Name

1,3-Diethyl 2-(1-methylbutyl)propanedioate

Molecular Formula

C12H22O4

Molecular Mass

230.30

Cite this Page

1,3-Diethyl 2-(1-methylbutyl)propanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117-47-5 (retrieved 2024-12-19) (CAS RN: 117-47-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    235-236 °C @ Press: 729 Torr

  • Density (2)

    0.9731 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H22O4/c1-5-8-9(4)10(11(13)15-6-2)12(14)16-7-3/h9-10H,5-8H2,1-4H3

InChIKey

InChIKey=RQFSNEWORATSCC-UHFFFAOYSA-N

SMILES

C(C(CCC)C)(C(OCC)=O)C(OCC)=O

Canonical SMILES

O=C(OCC)C(C(=O)OCC)C(C)CCC

Other Names for this Substance

  • Propanedioic acid, 2-(1-methylbutyl)-, 1,3-diethyl ester
  • Malonic acid, (1-methylbutyl)-, diethyl ester
  • Propanedioic acid, (1-methylbutyl)-, diethyl ester
  • 1,3-Diethyl 2-(1-methylbutyl)propanedioate
  • Diethyl (1-methylbutyl)malonate

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