1-Methyl octanedioate

CAS Registry Number®

3946-32-5

CAS Name

1-Methyl octanedioate

Molecular Formula

C9H16O4

Molecular Mass

188.22

Cite this Page

1-Methyl octanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3946-32-5 (retrieved 2024-11-24) (CAS RN: 3946-32-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    146-150 °C @ Press: 1 Torr

  • Melting Point (2)

    17-19 °C

  • Density (1)

    1.047 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H16O4/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3,(H,10,11)

InChIKey

InChIKey=KOVPXZDUVJGGFU-UHFFFAOYSA-N

SMILES

C(CCCCCCC(O)=O)(OC)=O

Canonical SMILES

O=C(O)CCCCCCC(=O)OC

Other Names for this Substance

  • Octanedioic acid, 1-methyl ester
  • Suberic acid, monomethyl ester
  • Octanedioic acid, monomethyl ester
  • Suberic acid, methyl ester
  • 1-Methyl octanedioate

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