Molecular properties
- Formula
- C6H12O2
- Molar mass
- 116.16 g·mol−1
- Exact mass
- 116.0837 Da
- 1
- PubChem CID
- 12206
Molecule record
methyl pentanoate
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
- 210-838-0
- 4-02-00-00871 (Beilstein Handbook Reference)
- 624-24-8
- BRN 1741905
- DTXCID1043332
- DTXSID9060784
- EINECS 210-838-0
- FEMA No. 2752
Show all 24 synonyms
- InChI=1/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H
- METHYL VALERATE
- METHYL VALERATE [FCC]
- METHYL VALERATE [FHFI]
- METHYL VALERATE [WHO-DD]
- MFCD00009478
- Methyl ester of pentanoic acid
- Methyl n-valerate
- Methyl valerate, 99%
- Methyl valerianate
- Pentanoic acid, methyl ester
- RefChem:818116
- UNII-ZW21JJJ9VN
- Valeric acid, methyl ester
- ZW21JJJ9VN
- n-Valeric acid methyl ester
Structure identifiers
- Canonical SMILES
- CCCCC(=O)OC
- Isomeric SMILES
- CCCCC(=O)OC
- InChI
- InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
- InChIKey
- HNBDRPTVWVGKBR-UHFFFAOYSA-N
- PubChem CID
- 12206
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 pentanoate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for methyl pentanoate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.