2,4,4-Trimethylhexanedioic acid

CAS Registry Number®

3937-59-5
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CAS Name

2,4,4-Trimethylhexanedioic acid

Molecular Formula

C9H16O4

Molecular Mass

188.22

Cite this Page

2,4,4-Trimethylhexanedioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3937-59-5 (retrieved 2024-07-03) (CAS RN: 3937-59-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    122 °C @ Press: 11 Torr

  • Melting Point (2)

    71 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H16O4/c1-6(8(12)13)4-9(2,3)5-7(10)11/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13)

InChIKey

InChIKey=RLEQVGMLDNITBW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Hexanedioic acid, 2,4,4-trimethyl-
  • 2,4,4-Trimethylhexanedioic acid
  • 2,4,4-Trimethyladipic acid