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Molecule record

ethyl octanoate

C10H20O2

172.27 g/mol

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Molecular properties

Formula
C10H20O2
Molar mass
172.27 g·mol−1
Exact mass
172.1463 Da
1
PubChem CID
7799

Functional groups

Alkane / alkyl carbon
Ester
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 106-32-1
  • 203-385-5
  • 81C5MOP582
  • CHEBI:87426
  • Caprylic acid ethyl ester
  • DTXCID9030094
  • DTXSID8051542
  • EINECS 203-385-5
Show all 24 synonyms
  • ETHYL OCTANOATE [FCC]
  • ETHYL OCTANOATE [FHFI]
  • Ethyl caprylate
  • Ethyl n-octanoate
  • Ethyl octoate
  • Ethyl octylate
  • FEMA 2449
  • FEMA No. 2449
  • MFCD00009552
  • NSC-8898
  • Octanoic acid, ethyl ester
  • RefChem:139025
  • WE(2:0/8:0)
  • n-Caprylic acid ethyl ester
  • n-Octanoic Acid Ethyl Ester
  • octanoic acid ethyl

Structure identifiers

Canonical SMILES
CCCCCCCC(=O)OCC
Isomeric SMILES
CCCCCCCC(=O)OCC
InChI
InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKey
YYZUSRORWSJGET-UHFFFAOYSA-N
PubChem CID
7799

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for ethyl octanoate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for ethyl octanoate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record