Molecular properties
- Formula
- C3H6O2
- Molar mass
- 74.08 g·mol−1
- Exact mass
- 74.0368 Da
- 1
- 0
- 2
- 26.30 Ų
- 0.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 79-20-9
- PubChem CID
- 6584
Molecule record
METHYL ACETATE
C3H6O2
74.08 g/mol
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
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 79-20-9
- Acetate de methyle
- Acetic acid, methyl ester
- CHEBI:77700
- DTXCID101767
- DTXSID4021767
- Devoton
- Ethyl ester of monoacetic acid
Show all 21 synonyms
- FEMA No. 2676
- Methyl acetic ester
- Methyl ester of acetic acid
- Methyl ethanoate
- Methylacetaat
- Methylacetat
- Methyle (acetate de)
- Methylester kiseliny octove
- Metile (acetato di)
- NSC-405071
- Octan metylu
- Tereton
- W684QT396F
Structure identifiers
- Canonical SMILES
- CC(=O)OC
- Isomeric SMILES
- CC(=O)OC
- InChI
- InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
- InChIKey
- KXKVLQRXCPHEJC-UHFFFAOYSA-N
- PubChem CID
- 6584
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
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 ACETATE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for METHYL ACETATE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.