Isocaproic acid

CAS Registry Number®

646-07-1

CAS Name

Isocaproic acid

Molecular Formula

C6H12O2

Molecular Mass

116.16

Cite this Page

Isocaproic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=646-07-1 (retrieved 2024-11-21) (CAS RN: 646-07-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    200.5 °C

  • Melting Point (1)

    -33 °C

  • Density (2)

    0.9392 g/cm³ @ Temp: 0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChIKey

InChIKey=FGKJLKRYENPLQH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC(C)C

Other Names for this Substance

  • Pentanoic acid, 4-methyl-
  • Valeric acid, 4-methyl-
  • 4-Methylpentanoic acid
  • Isocaproic acid
  • 4-Methylvaleric acid

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Deleted or Replaced CAS Registry Numbers

1331-16-4, 1866-94-0, 38784-67-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration