Molecular properties
- Formula
- C4H8O
- Molar mass
- 72.11 g·mol−1
- Exact mass
- 72.0575 Da
- 1
- 0
- 1
- 17.10 Ų
- 0.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 123-72-8
- PubChem CID
- 261
Molecule record
Butyraldehyde
C4H8O
72.11 g/mol
Show IUPAC name
IUPAC name
Butanal
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 | 0.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-butanal
- 123-72-8
- Aldehyde butyrique
- Aldeide butirrica
- Butal
- Butaldehyde
- Butalyde
- Butanaldehyde
Show all 22 synonyms
- Butylaldehyde
- Butyral
- Butyraldehyd
- Butyric aldehyde
- Butyrylaldehyde
- DTXCID601513
- DTXSID8021513
- FEMA Number 2219
- NCI-C56291
- NSC-62779
- butan-1-al
- n-Butanal
- n-Butyl aldehyde
- n-butyraldehyde
Structure identifiers
- Canonical SMILES
- CCCC=O
- Isomeric SMILES
- CCCC=O
- InChI
- InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
- InChIKey
- ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
- PubChem CID
- 261
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 Butyraldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Butyraldehyde; 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.