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Molecule record

BUTYL FORMATE

C5H10O2

102.13 g/mol

2D structure for BUTYL FORMATE

Molecular properties

Formula
C5H10O2
Molar mass
102.13 g·mol−1
Exact mass
102.0681 Da
1
0
2
26.30 Ų
1.4 (PubChem computed XLogP3-AA descriptor)
CAS
592-84-7
PubChem CID
11614

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
Logp1.4PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 0Y9MZ7VM9P
  • 4-02-00-00028 (Beilstein Handbook Reference)
  • AI3-25265
  • BRN 1742108
  • BUTYL FORMATE [FHFI]
  • Butylester kyseliny mravenci
  • Butylester kyseliny mravenci [Czech]
  • CHEBI:88514
Show all 22 synonyms
  • DTXSID2060468
  • EINECS 209-772-5
  • FEMA 2916
  • FEMA No. 2196
  • Formic acid, butyl ester
  • HCOO(CH2)3CH3
  • NSC 6969
  • NSC-6969
  • UN 1128
  • UN1128
  • UNII-0Y9MZ7VM9P
  • n-Butyl formate
  • n-Butyl methanoate
  • nButyl formate

Structure identifiers

Canonical SMILES
CCCCOC=O
Isomeric SMILES
CCCCOC=O
InChI
InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
InChIKey
NMJJFJNHVMGPGM-UHFFFAOYSA-N
PubChem CID
11614

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 BUTYL FORMATE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for BUTYL 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