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Molecule record

1-octanol

C8H18O

130.23 g/mol

2D structure for 1-octanol

Molecular properties

Formula
C8H18O
Molar mass
130.23 g·mol−1
Exact mass
130.1358 Da
0
1
1
20.20 Ų
3 (PubChem computed XLogP3-AA descriptor)
CAS
111-87-5
PubChem CID
957

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
Logp3PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Hydroxyoctane
  • 111-87-5
  • Alcohol C-8
  • Alfol 8
  • C8 alcohol
  • Dytol M-83
  • EPAL 8
  • FEMA No. 2800
Show all 23 synonyms
  • Heptyl carbinol
  • Lorol 20
  • Lorol C 8-98
  • N-octanol
  • Octan-1-ol
  • Octilin
  • Octyl alcohol
  • Octyl alcohol, normal-primary
  • Octyl alcohol, primary
  • Primary octyl alcohol
  • Sipol L8
  • caprylic alcohol
  • n-Caprylic alcohol
  • n-Octan-1-ol
  • n-Octyl alcohol

Structure identifiers

Canonical SMILES
CCCCCCCCO
Isomeric SMILES
CCCCCCCCO
InChI
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKey
KBPLFHHGFOOTCA-UHFFFAOYSA-N
PubChem CID
957

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-octanol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-octanol; 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