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Molecule record

METHYL PROPIONATE

C4H8O2

88.11 g/mol

2D structure for METHYL PROPIONATE

Molecular properties

Formula
C4H8O2
Molar mass
88.11 g·mol−1
Exact mass
88.0524 Da
1
0
2
26.30 Ų
0.8 (PubChem computed XLogP3-AA descriptor)
CAS
554-12-1
PubChem CID
11124

Interactions

Polarity
Polar functional group with nonpolar contribution from the carbon skeleton.
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

Ester

Physical properties

PropertyValueConditionsSource
Logp0.8PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 209-060-4
  • 4-02-00-00704 (Beilstein Handbook Reference)
  • 554-12-1
  • AI3-10621
  • BRN 1737628
  • EINECS 209-060-4
  • FEMA No. 2742
  • FEMA Number 2742
Show all 21 synonyms
  • HSDB 5688
  • Methyl Propionate (natural)
  • Methyl propanoate
  • Methyl propylate
  • Methylpropionate
  • NB21C0D33W
  • NSC 9375
  • NSC-9375
  • PROPIONIC ACID METHYL ESTER
  • Propanoic acid, methyl ester
  • Propionate de methyle
  • RefChem:6027
  • UNII-NB21C0D33W

Structure identifiers

Canonical SMILES
CCC(=O)OC
Isomeric SMILES
CCC(=O)OC
InChI
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
InChIKey
RJUFJBKOKNCXHH-UHFFFAOYSA-N
PubChem CID
11124

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

1740 cm−1C=O ester (simulated)
1180 cm−1C-O ester (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

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

Simulated EI mass spectrum

On-demand educational fragmentation for METHYL PROPIONATE; 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