3-Methylhexanoic acid

CAS Registry Number®

3780-58-3
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CAS Name

3-Methylhexanoic acid

Molecular Formula

C7H14O2

Molecular Mass

130.18

Cite this Page

3-Methylhexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3780-58-3 (retrieved 2024-07-07) (CAS RN: 3780-58-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    212-213 °C @ Press: 755 Torr

  • Melting Point (2)

    84-86 °C

  • Density (1)

    0.9187 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

InChIKey

InChIKey=NZQMQVJXSRMTCJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC(C)CCC

Other Names for this Substance

  • Hexanoic acid, 3-methyl-
  • 3-Methylhexanoic acid
  • 3-Methylhexylic acid
  • 3-Methylcaproic acid
  • NSC 1248

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Deleted or Replaced CAS Registry Numbers

22263-24-7