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Molecule record

1-butanol

C4H10O

74.12 g/mol

2D structure for 1-butanol

Molecular properties

Formula
C4H10O
Molar mass
74.12 g·mol−1
Exact mass
74.0732 Da
0
1
1
20.20 Ų
0.9 (PubChem computed XLogP3-AA descriptor)
CAS
71-36-3
PubChem CID
263

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

Physical properties

PropertyValueConditionsSource
Logp0.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Butyl alcohol
  • 1-hydroxybutane
  • 71-36-3
  • Alcool butylique
  • Butan-1-ol
  • Butanolen
  • Butanolo
  • Butyl alcohol
Show all 23 synonyms
  • Butyl hydroxide
  • Butylowy alkohol
  • Butyric alcohol
  • CCS 203
  • FEMA No. 2178
  • Hemostyp
  • Methylolpropane
  • Normal primary butyl alcohol
  • Propyl carbinol
  • Propylcarbinol
  • Propylmethanol
  • RCRA waste number U031
  • n-Butan-1-ol
  • n-butanol
  • n-butyl alcohol

Structure identifiers

Canonical SMILES
CCCCO
Isomeric SMILES
CCCCO
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey
LRHPLDYGYMQRHN-UHFFFAOYSA-N
PubChem CID
263

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for 1-butanol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-butanol; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record