Molecular properties
- Formula
- C8H16O2
- Molar mass
- 144.21 g·mol−1
- Exact mass
- 144.1150 Da
- 1
- PubChem CID
- 31265
Molecule record
ethyl hexanoate
C8H16O2
144.21 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
- 123-66-0
- 204-640-3
- Acetic acid, butyl-, ethyl ester
- CCRIS 6555
- CHEBI:86055
- Caproic acid ethylester
- Capronic ether absolute
- DTXCID301980
Show all 24 synonyms
- DTXSID3021980
- Ethyl caproate
- Ethyl ester of hexanoic acid
- Ethyl hexanoate (caproate)
- Ethyl hexoate
- Ethyl n-hexanoate
- FEMA No. 2439
- FLO6YR1SHT
- Hexanoic acid, ethyl ester
- MFCD00009511
- NSC-8882
- RefChem:138945
- UNII-FLO6YR1SHT
- WE(2:0/6:0)
- ethyl capronate
- n-Caproic acid ethyl ester
Structure identifiers
- Canonical SMILES
- CCCCCC(=O)OCC
- Isomeric SMILES
- CCCCCC(=O)OCC
- InChI
- InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
- InChIKey
- SHZIWNPUGXLXDT-UHFFFAOYSA-N
- PubChem CID
- 31265
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 ethyl hexanoate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for ethyl hexanoate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.