Molecular properties
- Formula
- C6H12O2
- Molar mass
- 116.16 g·mol−1
- Exact mass
- 116.0837 Da
- 1
- PubChem CID
- 13357
Molecule record
methyl 2-methylbutanoate
C6H12O2
116.16 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Ester
Ether
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (+-)-Methyl 2-methylbutanoate
- .ALPHA.-METHYLBUTYRIC ACID METHYL ESTER
- 2-methylbutanoic acid methyl ester
- 868-57-5
- AI3-34461
- Butanoic acid, 2-methyl-, methyl ester
- Butyric acid, .alpha.-methyl-, methyl ester
- Butyric acid, 2-methyl-, methyl ester
Show all 24 synonyms
- DTXCID2031160
- DTXSID1052587
- EINECS 212-778-0
- FEMA No. 2719
- METHYL 2-METHYLBUTYRATE [FCC]
- METHYL 2-METHYLBUTYRATE [FHFI]
- METHYL DL-.ALPHA.-METHYLBUTYRATE
- Methyl .alpha.-methylbutanoate
- Methyl .alpha.-methylbutyrate
- Methyl 2-methylbutyrate
- Methyl 2-methylbutyrate (natural)
- Methyl alpha-methylbutanoate
- Methyl alpha-methylbutyrate
- Methyl anteisovalerate
- OLG4D4939V
- RefChem:814544
Structure identifiers
- Canonical SMILES
- CCC(C)C(=O)OC
- Isomeric SMILES
- CCC(C)C(=O)OC
- InChI
- InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
- InChIKey
- OCWLYWIFNDCWRZ-UHFFFAOYSA-N
- PubChem CID
- 13357
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for methyl 2-methylbutanoate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for methyl 2-methylbutanoate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.