3,7-Dimethyloctanoic acid

CAS Registry Number®

5698-27-1

CAS Name

3,7-Dimethyloctanoic acid

Molecular Formula

C10H20O2

Molecular Mass

172.26

Cite this Page

3,7-Dimethyloctanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5698-27-1 (retrieved 2024-11-22) (CAS RN: 5698-27-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    195 °C

  • Density (2)

    0.880 g/cm³ @ Temp: 17 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H20O2/c1-8(2)5-4-6-9(3)7-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)

InChIKey

InChIKey=DGGBNSXAFVNQJU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Octanoic acid, 3,7-dimethyl-
  • Caprylic acid, β,ζ-dimethyl-
  • 3,7-Dimethyloctanoic acid
  • Citronellic acid, dihydro-
  • Geranic acid, tetrahydro-

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Deleted or Replaced CAS Registry Numbers

57030-79-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration