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Molecule record

1-methoxybutane

C5H12O

88.15 g/mol

Loading structure

Molecular properties

Formula
C5H12O
Molar mass
88.15 g·mol−1
Exact mass
88.0888 Da
0
PubChem CID
12338

Functional groups

Alkane / alkyl carbon
Ether

Physical properties

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

Common names and synonyms

  • 211-033-7
  • 628-28-4
  • BUTYL METHYL ETHER
  • Butane, 1-methoxy-
  • Butane, 1-methoxy-(9CI)
  • Butane, 1methoxy
  • Butane, 1methoxy (9CI)
  • CXBDYQVECUFKRK-UHFFFAOYSA-N
Show all 24 synonyms
  • DTXCID1043542
  • DTXSID5074559
  • EINECS 211-033-7
  • Ether, butyl methyl
  • InChI=1/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H
  • MFCD00009453
  • Methyl butyl ether
  • Methyl n-butyl ether
  • Methyl nbutyl ether
  • RefChem:122275
  • UN 2350
  • UN2350
  • alphaMethoxybutane
  • buthyl methly ester
  • n-Butyl methyl ether
  • n-C4H9OCH3

Structure identifiers

Canonical SMILES
CCCCOC
Isomeric SMILES
CCCCOC
InChI
InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3
InChIKey
CXBDYQVECUFKRK-UHFFFAOYSA-N
PubChem CID
12338

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 1-methoxybutane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-methoxybutane; 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
1-methoxybutane - Formula, Structure | ChemArche