ChemArche
Sign inAccount

Molecule record

3-methylcyclohexan-1-one

C7H12O

112.17 g/mol

Loading structure

Molecular properties

Formula
C7H12O
Molar mass
112.17 g·mol−1
Exact mass
112.0888 Da
2
PubChem CID
11567

Functional groups

Alkane / alkyl carbon
Ketone

Physical properties

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

Common names and synonyms

  • (+-)-3-METHYLCYCLOHEXANONE
  • (RS)-3-METHYLCYCLOHEXANONE
  • 2-07-00-00018 (Beilstein Handbook Reference)
  • 209-710-7
  • 255L4HTY2B
  • 3-METHYL CYCLOHEXANONE
  • 3-METHYLCYCLOHEXANONE
  • 3-METHYLCYCLOHEXANONE [FHFI]
Show all 24 synonyms
  • 591-24-2
  • AI3-05634
  • BRN 0969804
  • Cyclohexanone, 3-methyl-
  • Cyclohexanone, 3methyl
  • DTXCID70811049
  • DTXSID50862256
  • EINECS 209-710-7
  • FEMA NO. 3947
  • Methyl-3 cyclohexanone-1
  • Methyl-3 cyclohexanone-1 [French]
  • Methyl3 cyclohexanone1
  • NSC 3709
  • RefChem:504190
  • Tetrahydro-m-cresol
  • Tetrahydromcresol

Structure identifiers

Canonical SMILES
CC1CCCC(=O)C1
Isomeric SMILES
CC1CCCC(=O)C1
InChI
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey
UJBOOUHRTQVGRU-UHFFFAOYSA-N
PubChem CID
11567

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 3-methylcyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-methylcyclohexan-1-one; not experimental data.

Sources

Molecule identity

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

PubChem(link only)
Open source record