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Molecule record

PROPYL FORMATE

C4H8O2

88.11 g/mol

2D structure for PROPYL FORMATE

Molecular properties

Formula
C4H8O2
Molar mass
88.11 g·mol−1
Exact mass
88.0524 Da
1
0
2
26.30 Ų
0.8 (PubChem computed XLogP3-AA descriptor)
CAS
110-74-7
PubChem CID
8073

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
Logp0.8PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • AI3-24243
  • BRN 1739272
  • DTXSID3059391
  • EINECS 203-798-0
  • FEMA 2943
  • FEMA No. 2943
  • Formiate de propyle
  • Formiate de propyle [French]
Show all 22 synonyms
  • Formic acid, propyl ester
  • HCOOCH2CH2CH3
  • PROPYL FORMATE [FCC]
  • PROPYL FORMATE [FHFI]
  • PROPYL FORMATE [MI]
  • Propyl ester of formic acid
  • Propyl methanoate
  • Propylester kyseliny mravenci
  • Propylester kyseliny mravenci [Czech]
  • UN1281
  • UNII-WO1ARV6GTW
  • WO1ARV6GTW
  • n-Propyl formate
  • n-Propyl methanoate

Structure identifiers

Canonical SMILES
CCCOC=O
Isomeric SMILES
CCCOC=O
InChI
InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
InChIKey
KFNNIILCVOLYIR-UHFFFAOYSA-N
PubChem CID
8073

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 PROPYL FORMATE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for PROPYL FORMATE; not experimental data.

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