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Molecule record

CROTONALDEHYDE

C4H6O

70.09 g/mol

2D structure for CROTONALDEHYDE

Molecular properties

Formula
C4H6O
Molar mass
70.09 g·mol−1
Exact mass
70.0419 Da
2
0
1
17.10 Ų
0.5 (PubChem computed XLogP3-AA descriptor)
CAS
4170-30-3
PubChem CID
447466

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
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

Alkene

Physical properties

PropertyValueConditionsSource
Logp0.5PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • (2E)-but-2-enal
  • (E)-but-2-enal
  • 1-Formylpropene
  • 2-Butenal
  • 2-Butenaldehyde
  • 4170-30-3
  • 9G72074TUW
  • AI3-18303 (USDA)
Show all 22 synonyms
  • CHEBI:41607
  • Crotonal
  • Crotonic aldehyde
  • Crotylaldehyde
  • DTXCID404864
  • DTXSID8024864
  • Krotonaldehyd
  • Methylpropenal
  • Propylene aldehyde
  • RCRA waste number U053
  • UN 1143
  • beta-Methyl acrolein
  • beta-Methylacrolein
  • trans-2-butenaldehyde

Structure identifiers

Canonical SMILES
C/C=C/C=O
Isomeric SMILES
C/C=C/C=O
InChI
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
InChIKey
MLUCVPSAIODCQM-NSCUHMNNSA-N
PubChem CID
447466

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

1645 cm−1C=C alkene (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for CROTONALDEHYDE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for CROTONALDEHYDE; 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