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Molecule record

butane-1,4-diol

C4H10O2

90.12 g/mol

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Molecular properties

Formula
C4H10O2
Molar mass
90.12 g·mol−1
Exact mass
90.0681 Da
0
PubChem CID
8064

Functional groups

Alcohol
Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 1,4-BD
  • 1,4-BUTANEDIOL
  • 1,4-Butylene glycol
  • 1,4-Dihydroxybutane
  • 1,4-Tetramethylene glycol
  • 1,4-butane-d8-diol
  • 110-63-4
  • 203-786-5
Show all 24 synonyms
  • 615-930-8
  • 7XOO2LE6G3
  • Agrisynth B1D
  • BDO
  • CHEBI:41189
  • DIOL 14B
  • DTXCID804666
  • DTXSID2024666
  • HO(CH2)4OH
  • HOCH2CH2CH2CH2OH
  • MFCD00002968
  • NSC-406696
  • RefChem:6711
  • Sucol B
  • Tetramethylene 1,4-diol
  • Tetramethylene glycol

Structure identifiers

Canonical SMILES
OCCCCO
Isomeric SMILES
C(CCO)CO
InChI
InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-N
PubChem CID
8064

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 butane-1,4-diol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for butane-1,4-diol; 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