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Molecule record

octan-4-ol

C8H18O

130.23 g/mol

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Molecular properties

Formula
C8H18O
Molar mass
130.23 g·mol−1
Exact mass
130.1358 Da
0
PubChem CID
11515

Functional groups

Alcohol
Alkane / alkyl carbon

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (+-)-4-Octanol
  • 209-654-3
  • 4-OCTANOL
  • 4-OCTANOL, (+-)-
  • 4-Octanol, (S)-
  • 4-Octyl Alcohol
  • 4-hydroxyoctane
  • 589-62-8
Show all 24 synonyms
  • 5HZ7613II2
  • AI3-37214
  • Butyl propyl carbinol
  • Butylpropylcarbinol
  • DL-OCTAN-4-OL
  • DTXCID40818343
  • DTXSID60870640
  • EINECS 209-654-3
  • MFCD00014409
  • NSC 66398
  • RefChem:526064
  • SCHEMBL78214
  • SCHEMBL78215
  • UNII-5HZ7613II2
  • n-Octan-4-ol
  • orb3021414

Structure identifiers

Canonical SMILES
CCCCC(O)CCC
Isomeric SMILES
CCCCC(CCC)O
InChI
InChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3
InChIKey
WOFPPJOZXUTRAU-UHFFFAOYSA-N
PubChem CID
11515

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for octan-4-ol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for octan-4-ol; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record