Molecular properties
- Formula
- C3H6O
- Molar mass
- 58.08 g·mol−1
- Exact mass
- 58.0419 Da
- 1
- 0
- 1
- 17.10 Ų
- 0.6 (PubChem computed XLogP3-AA descriptor)
- CAS
- 123-38-6
- PubChem CID
- 527
Molecule record
Propionaldehyde
C3H6O
58.08 g/mol
Show IUPAC name
IUPAC name
Propanal
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
Aldehyde
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0.6 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Propanal
- 1-Propanone
- 123-38-6
- AMJ2B4M67V
- Aldehyde propionique
- CHEBI:17153
- DTXCID001658
- DTXSID2021658
Show all 22 synonyms
- FEMA No. 2923
- FEMA Number 2923
- Methylacetaldehyde
- NCI-C61029
- NSC-6493
- Propaldehyde
- Propanaldehyde
- Propional
- Propionic aldehyde
- Propyl aldehyde
- Propylaldehyde
- Propylic aldehyde
- n-Propanal
- n-Propionaldehyde
Structure identifiers
- Canonical SMILES
- CCC=O
- Isomeric SMILES
- CCC=O
- InChI
- InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
- InChIKey
- NBBJYMSMWIIQGU-UHFFFAOYSA-N
- PubChem CID
- 527
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1725 cm−1C=O aldehyde (simulated)
2720 cm−1aldehyde C-H (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for Propionaldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Propionaldehyde; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.