2,2,4-Trimethylhexanedioic acid

CAS Registry Number®

3586-39-8
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CAS Name

2,2,4-Trimethylhexanedioic acid

Molecular Formula

C9H16O4

Molecular Mass

188.22

Cite this Page

2,2,4-Trimethylhexanedioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3586-39-8 (retrieved 2024-09-11) (CAS RN: 3586-39-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    113-114 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=DWFUTNJGNBYHNN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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