Compound Summary

General Compound Information

ethyl 2-methylpropanoate

Description
Ethyl isobutyrate is a fatty acid methyl ester obtained by the formal condensation of isobutyric acid with ethanol. It has a role as a metabolite. It derives from an isobutyric acid.
Synonyms
ETHYL ISOBUTYRATE;  97-62-1;  Ethyl 2-methylpropanoate;  Isobutyric acid ethyl ester;  Ethylisobutyrate;
FlavorDB ID
2805
PUBCHEM ID
Molecular Weight
116.16
Molecular Formula
C6H12O2
Openeye Can Smiles
CCOC(=O)C(C)C
IUPAC Inchikey
WDAXFOBOLVPGLV-UHFFFAOYSA-N
Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
smell fruity 7.662e-4 µmol/L details
smell fruity 1.894e-3 µmol/L details
smell fruity 7.662e-4 µmol/L passion fruit details
smell fruity 7.662e-4 µmol/L durian details
smell fruity 7.662e-4 µmol/L mango details
smell fruity 7.662e-4 µmol/L durian details
smell fruity 7.662e-4 µmol/L jackfruit pulp details
smell fruity 7.662e-4 µmol/L dry hopped beer details
smell fruity 1.205e-1 µmol/L red wine details
smell fruity 7.662e-4 µmol/L cempedak details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
Food Additive Safety (OFAS)
ETHYL ISOBUTYRATE is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.
EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Ethyl isobutyrate
Receptors
Receptor REFERENCE EC50 [µM] Effective Concentration [µM]
OR1G1 details Activated
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental GCMS view GCMS positive