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Molecule record

1-Pentanol

C5H12O

88.15 g/mol

2D structure for 1-Pentanol

Molecular properties

Formula
C5H12O
Molar mass
88.15 g·mol−1
Exact mass
88.0888 Da
0
1
1
20.20 Ų
1.6 (PubChem computed XLogP3-AA descriptor)
CAS
71-41-0
PubChem CID
6276

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
Logp1.6PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Pentyl alcohol
  • 71-41-0
  • Alcool amylique
  • Amyl alcohol
  • Amyl alcohol, normal
  • Amylol
  • Butyl carbinol
  • Butylcarbinol
Show all 22 synonyms
  • FEMA No. 2056
  • N-Amyl alcohol
  • N-PENTYL ALCOHOL
  • Pentan-1-ol
  • Pentanol-1
  • Pentasol
  • Pentyl alcohol
  • Petan-1-ol
  • Primary amyl alcohol
  • n-Amylalkohol
  • n-Butylcarbinol
  • n-Pentan-1-ol
  • n-Pentanol
  • n-butyl carbinol

Structure identifiers

Canonical SMILES
CCCCCO
Isomeric SMILES
CCCCCO
InChI
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey
AMQJEAYHLZJPGS-UHFFFAOYSA-N
PubChem CID
6276

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-Pentanol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-Pentanol; 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
1-Pentanol - Formula, Structure, Properties, IR and spectroscopy data | ChemArche