4,4-Dimethylpentanoic acid

CAS Registry Number®

1118-47-4

CAS Name

4,4-Dimethylpentanoic acid

Molecular Formula

C7H14O2

Molecular Mass

130.18

Cite this Page

4,4-Dimethylpentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1118-47-4 (retrieved 2024-11-22) (CAS RN: 1118-47-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    133 °C @ Press: 12 Torr

  • Melting Point (2)

    81.5-82 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)

InChIKey

InChIKey=HMMSZUQCCUWXRA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Pentanoic acid, 4,4-dimethyl-
  • Valeric acid, 4,4-dimethyl-
  • 4,4-Dimethylpentanoic acid
  • 4,4-Dimethylvaleric acid
  • NSC 65454