ChemArche
Sign inAccount

Molecule record

2-Butanone

C4H8O

72.11 g/mol

2D structure for 2-Butanone

Molecular properties

Formula
C4H8O
Molar mass
72.11 g·mol−1
Exact mass
72.0575 Da
1
0
1
17.10 Ų
0.3 (PubChem computed XLogP3-AA descriptor)
CAS
78-93-3
PubChem CID
6569

Interactions

Polarity
Polar functional group with nonpolar contribution from the carbon skeleton.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Ketone

Physical properties

PropertyValueConditionsSource
Logp0.3PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 3-Butanone
  • 78-93-3
  • Acetone, methyl-
  • Aethylmethylketon
  • Butan-2-one
  • Butanone
  • Butanone 2
  • Ethyl methyl cetone
Show all 22 synonyms
  • Ethyl methyl ketone
  • Ethylmethylcetone
  • Ethylmethylketon
  • Ketone, ethyl methyl
  • METHYL ETHYL KETONE
  • Meetco
  • Methyl acetone
  • Methylethyl ketone
  • Methylethylketone
  • Metiletilcetona
  • Metiletilchetone
  • Metyl ethyl ketone
  • Metyloetyloketon
  • RCRA waste number U159

Structure identifiers

Canonical SMILES
CCC(=O)C
Isomeric SMILES
CCC(=O)C
InChI
InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
InChIKey
ZWEHNKRNPOVVGH-UHFFFAOYSA-N
PubChem CID
6569

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1715 cm−1C=O ketone (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for 2-Butanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-Butanone; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record