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Molecule record

Butyl propionate

C7H14O2

130.18 g/mol

2D structure for Butyl propionate

Molecular properties

Formula
C7H14O2
Molar mass
130.18 g·mol−1
Exact mass
130.0994 Da
1
0
2
26.30 Ų
2.1 (PubChem computed XLogP3-AA descriptor)
CAS
590-01-2
PubChem CID
11529

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
Logp2.1PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 4-02-00-00708 (Beilstein Handbook Reference)
  • 590-01-2
  • AI3-24352
  • BRN 1700932
  • BUTYL PROPIONATE [FHFI]
  • Butyl ester of propanoic acid
  • Butyl propanoate
  • Butyl propionate (natural)
Show all 22 synonyms
  • CHEBI:89831
  • DTXCID907223
  • DTXSID5027223
  • EINECS 209-669-5
  • FEMA 2211
  • N-BUTYL PROPIONATE
  • N-BUTYL PROPIONATE [MI]
  • NSC-8449
  • Propanoic acid, butyl ester
  • Propionic Acid Butyl Ester
  • UN1914
  • UNII-2NXC4AK99E
  • n-Butyl n-propionate
  • n-butylpropionate

Structure identifiers

Canonical SMILES
CCCCOC(=O)CC
Isomeric SMILES
CCCCOC(=O)CC
InChI
InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
InChIKey
BTMVHUNTONAYDX-UHFFFAOYSA-N
PubChem CID
11529

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 propionate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Butyl propionate; 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