Molecule record

4-hydroxy-4-methylpentan-2-one

C6H12O2

116.16 g/mol

Loading structure

Molecular properties

Formula
C6H12O2
Molar mass
116.16 g·mol−1
Exact mass
116.0837 Da
1
PubChem CID
31256

Functional groups

Alcohol
Alkane / alkyl carbon
Ketone

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 123-42-2
  • 2-Methyl-2-pentanol-4-one
  • 2-Pentanone, 4-hydroxy-4-methyl-
  • 4-HYDROXY-4-METHYL-2-PENTANONE
  • 4-Hydroxy-2-keto-4-methylpentane
  • 4-Hydroxy-4-methyl pentan-2-one
  • 4-Hydroxy-4-methyl-pentan-2-on
  • 4-Hydroxy-4-methylpentanone-2
Show all 24 synonyms
  • 4-Idrossi-4-metil-pentan-2-one
  • Acetonyldimethylcarbinol
  • DTXSID6024917
  • Diacetonalcohol
  • Diacetonalcool
  • Diacetonalkohol
  • Diacetone
  • Diacetone alcohol
  • Diacetone-alcool
  • Diacetonyl alcohol
  • Diketone alcohol
  • Dimethyl acetonyl carbinol
  • Pyranton
  • Pyranton A
  • Q7WP157PTD
  • Tyranton

Structure identifiers

Canonical SMILES
CC(=O)CC(C)(C)O
Isomeric SMILES
CC(=O)CC(C)(C)O
InChI
InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey
SWXVUIWOUIDPGS-UHFFFAOYSA-N
PubChem CID
31256

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-hydroxy-4-methylpentan-2-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-hydroxy-4-methylpentan-2-one; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record