Molecular properties
- Formula
- C7H8O
- Molar mass
- 108.14 g·mol−1
- Exact mass
- 108.0575 Da
- 4
- 1
- 1
- 20.20 Ų
- 1.1 (PubChem computed XLogP3-AA descriptor)
- CAS
- 100-51-6
- PubChem CID
- 244
Molecule record
benzyl alcohol
C7H8O
108.14 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
Aromatic ring
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.1 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (Hydroxymethyl)benzene
- 100-51-6
- Alcohol bencilico
- Alcohol, Benzyl
- Alcool benzylique
- Benzal alcohol
- Benzenecarbinol
- Benzoyl alcohol
Show all 22 synonyms
- Benzylicum
- Hydroxytoluene
- Methanol, phenyl-
- Phenolcarbinol
- Phenylcarbinolum
- Phenylmethyl alcohol
- Ulesfia
- alcoholum benzylicum
- alpha-Toluenol
- alpha-hydroxytoluene
- benzenemethanol
- benzylic alcohol
- phenylcarbinol
- phenylmethanol
Structure identifiers
- Canonical SMILES
- C1=CC=C(C=C1)CO
- Isomeric SMILES
- C1=CC=C(C=C1)CO
- InChI
- InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
- InChIKey
- WVDDGKGOMKODPV-UHFFFAOYSA-N
- PubChem CID
- 244
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)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for benzyl alcohol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for benzyl 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.