Molecular properties
- Formula
- C9H18O2
- Molar mass
- 158.24 g·mol−1
- Exact mass
- 158.1307 Da
- 1
- PubChem CID
- 8091
Molecule record
methyl octanoate
C9H18O2
158.24 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
- 111-11-5
- 203-835-0
- 7MO740X6QL
- C08 FAME
- CHEBI:87432
- Caprylic acid methyl ester
- DTXCID606864
- DTXSID2026864
Show all 24 synonyms
- FEMA No. 2728
- MFCD00009551
- Methyl caprylate
- Methyl ester of octanoic acid
- Methyl n-octanoate
- Methyl octanoate, 99%
- Methyl octylate
- NSC-3710
- Natural methyl octanoate
- Octanoic acid methyl ester
- RefChem:157976
- S0306
- Uniphat A20
- formyl octanoate
- methyloctanoate
- n-Caprylic acid methyl ester
Structure identifiers
- Canonical SMILES
- CCCCCCCC(=O)OC
- Isomeric SMILES
- CCCCCCCC(=O)OC
- InChI
- InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
- InChIKey
- JGHZJRVDZXSNKQ-UHFFFAOYSA-N
- PubChem CID
- 8091
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 octanoate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for methyl octanoate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.