Molecular properties
- Formula
- C2H4O
- Molar mass
- 44.05 g·mol−1
- Exact mass
- 44.0262 Da
- 1
- 0
- 1
- 17.10 Ų
- -0.3 (PubChem computed XLogP3-AA descriptor)
- CAS
- 75-07-0
- PubChem CID
- 177
Molecule record
Acetaldehyde
C2H4O
44.05 g/mol
Show IUPAC name
IUPAC name
Ethanal
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 | -0.3 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 75-07-0
- Acetaldehyd
- Acetaldehyde 1501
- Acetaldehyde Phenolic
- Acetic ethanol
- Acetylaldehyde
- Aldehyde acetique
- Aldeide acetica
Show all 22 synonyms
- CHEBI:15343
- DTXCID202
- DTXSID5039224
- FEMA No. 2003
- GO1N1ZPR3B
- NCI-C56326
- NSC 7594
- NSC-7594
- NSC7594
- Octowy aldehyd
- RCRA waste number U001
- RefChem:6606
- acetic aldehyde
- ethyl aldehyde
Structure identifiers
- Canonical SMILES
- CC=O
- Isomeric SMILES
- CC=O
- InChI
- InChI=1S/C2H4O/c1-2-3/h2H,1H3
- InChIKey
- IKHGUXGNUITLKF-UHFFFAOYSA-N
- PubChem CID
- 177
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 Acetaldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Acetaldehyde; 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.