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Molecule record

METHYL FORMATE

C2H4O2

60.05 g/mol

2D structure for METHYL FORMATE

Molecular properties

Formula
C2H4O2
Molar mass
60.05 g·mol−1
Exact mass
60.0211 Da
1
0
2
26.30 Ų
0 (PubChem computed XLogP3-AA descriptor)
CAS
107-31-3
PubChem CID
7865

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
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

Ether

Physical properties

PropertyValueConditionsSource
Logp0PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 107-31-3
  • 1MPH591FTG
  • 203-481-7
  • CHEBI:77699
  • DTXCID305609
  • DTXSID5025609
  • Formiate de methyle
  • Formic acid, methyl ester
Show all 21 synonyms
  • HCOOCH3
  • METHYLFORMATE
  • MFCD00003291
  • Methyl ester of formic acid
  • Methyl methanoate
  • Methyle (formiate de)
  • Methylester kyseliny mravenci
  • Methylformiaat
  • Methylformiat
  • Metil (formiato di)
  • Mravencan methylnaty
  • RefChem:6021
  • methanoic acid methyl ester

Structure identifiers

Canonical SMILES
COC=O
Isomeric SMILES
COC=O
InChI
InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
InChIKey
TZIHFWKZFHZASV-UHFFFAOYSA-N
PubChem CID
7865

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

1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for METHYL FORMATE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for METHYL FORMATE; 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