Molecular properties
- Formula
- C3H6O
- Molar mass
- 58.08 g·mol−1
- Exact mass
- 58.0419 Da
- 1
- 1
- 1
- 20.20 Ų
- 0.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 107-18-6
- PubChem CID
- 7858
Molecule record
ALLYL ALCOHOL
C3H6O
58.08 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- 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
Alcohol
Alkene
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Propen-3-ol
- 1-hydroxy-2-propene
- 107-18-6
- 2-Propen-1-ol
- 2-Propene-1-ol
- 2-Propenol
- 2-Propenyl alcohol
- 3-Hydroxypropene
Show all 22 synonyms
- Alcool allilco
- Alcool allylique
- Allilowy alkohol
- Allylalkohol
- Allylic alcohol
- DTXSID8020044
- PROP-2-EN-1-OL
- Propen-1-ol-3
- Propenyl alcohol
- RCRA waste number P005
- Shell unkrautted A
- Vinyl carbinol
- Vinylcarbinol
- Weed drench
Structure identifiers
- Canonical SMILES
- C=CCO
- Isomeric SMILES
- C=CCO
- InChI
- InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
- InChIKey
- XXROGKLTLUQVRX-UHFFFAOYSA-N
- PubChem CID
- 7858
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
3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for ALLYL ALCOHOL; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for ALLYL ALCOHOL; 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.