3,5,5-Trimethylhexanoic acid

CAS Registry Number®

3302-10-1

CAS Name

3,5,5-Trimethylhexanoic acid

Molecular Formula

C9H18O2

Molecular Mass

158.24

Cite this Page

3,5,5-Trimethylhexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3302-10-1 (retrieved 2024-11-22) (CAS RN: 3302-10-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    80-85 °C @ Press: 3 Torr

  • Density (2)

    0.91 g/cm³ (liquid)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)

InChIKey

InChIKey=OILUAKBAMVLXGF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Hexanoic acid, 3,5,5-trimethyl-
  • 3,5,5-Trimethylhexanoic acid
  • 3,5,5-Trimethyl-n-hexanoic acid
  • 3,5,5-Trimethylcaproic acid
  • Kyowanoic N

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