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Molecule record

2-OCTANOL

C8H18O

130.23 g/mol

2D structure for 2-OCTANOL

Molecular properties

Formula
C8H18O
Molar mass
130.23 g·mol−1
Exact mass
130.1358 Da
0
1
1
20.20 Ų
2.9 (PubChem computed XLogP3-AA descriptor)
CAS
123-96-6
PubChem CID
20083

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
Logp2.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Methyl-1-heptanol
  • 1-Methylheptyl alcohol
  • 123-96-6
  • 2-Hydroxy-n-octane
  • 2-Hydroxyoctane
  • 2-Octyl alcohol
  • 66B0DD5E40
  • Caprylic alcohol, secondary
Show all 22 synonyms
  • DTXSID0027014
  • FEMA No. 2801
  • FEMA Number 2801
  • Hexyl methyl carbinol
  • Hexylmethylcarbinol
  • Methyl hexyl carbinol
  • Methylhexylcarbinol
  • NSC-14759
  • Octan-2-ol
  • beta-Octyl alcohol
  • n-Octan-2-ol
  • sec-Caprylic alcohol
  • sec-OCTYL ALCOHOL
  • secondary Caprylic alcohol

Structure identifiers

Canonical SMILES
CCCCCCC(C)O
Isomeric SMILES
CCCCCCC(C)O
InChI
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChIKey
SJWFXCIHNDVPSH-UHFFFAOYSA-N
PubChem CID
20083

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 2-OCTANOL; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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