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Molecule record

ETHYL ACETATE

C4H8O2

88.11 g/mol

2D structure for ETHYL ACETATE

Molecular properties

Formula
C4H8O2
Molar mass
88.11 g·mol−1
Exact mass
88.0524 Da
1
0
2
26.30 Ų
0.7 (PubChem computed XLogP3-AA descriptor)
CAS
141-78-6
PubChem CID
8857

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Ether

Physical properties

PropertyValueConditionsSource
Logp0.7PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 141-78-6
  • Acetate d'ethyle
  • Acetato de etilo
  • Acetic acid ethyl ester
  • Acetic ester
  • Acetic ether
  • Acetidin
  • Acetoxyethane
Show all 21 synonyms
  • Aethylacetat
  • Essigester
  • EtOAc
  • Ethyl acetic ester
  • Ethyl ethanoate
  • Ethylacetaat
  • Ethylacetate
  • Ethyle (acetate d')
  • Etile (acetato di)
  • FEMA No. 2414
  • Octan etylu
  • RCRA waste number U112
  • Vinegar naphtha

Structure identifiers

Canonical SMILES
CCOC(=O)C
Isomeric SMILES
CCOC(=O)C
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey
XEKOWRVHYACXOJ-UHFFFAOYSA-N
PubChem CID
8857

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for ETHYL ACETATE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for ETHYL ACETATE; not experimental data.

Related molecules

2D structure for Acetic acid

Acetic acid

C2H4O260.05 g·mol−1

2D structure for METHYL ACETATE

METHYL ACETATE

C3H6O274.08 g·mol−1

2D structure for ethanol

ethanol

C2H6O46.07 g·mol−1

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record