Compound Summary

General Compound Information

ethyl butanoate

Description
Ethyl butyrate is a butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy group of butyric acid. It has a role as a plant metabolite. It derives from an ethanol.
Synonyms
ETHYL BUTYRATE;  Ethyl butanoate;  105-54-4;  Butyric acid ethyl ester;  Ethyl n-butyrate;
FlavorDB ID
2801
PUBCHEM ID
7762
Molecular Weight
116.16
Molecular Formula
C6H12O2
Openeye Can Smiles
CCCC(=O)OCC
IUPAC Inchikey
OBNCKNCVKJNDBV-UHFFFAOYSA-N
Similarity
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Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
smell 2.152e-5 µmol/L apple details
smell fruity 2.324e-5 µmol/L grapefruit juice details
smell 2.324e-5 µmol/L orange juice details
smell fruity 6.543e-3 µmol/L details
smell fruity 2.066e-2 µmol/L details
smell fruity 6.543e-3 µmol/L guava details
smell fruity 6.543e-3 µmol/L guava details
smell fruity 6.543e-3 µmol/L passion fruit details
smell fruity 6.543e-3 µmol/L andes berry details
smell fruity 6.543e-3 µmol/L durian details
smell fruity 6.543e-3 µmol/L durian details
smell fruity 6.457e-3 µmol/L orange juice details
smell fruity 6.457e-3 µmol/L jackfruit pulp details
smell fruity 6.457e-3 µmol/L cempedak details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
IDENTIFICATION AND USE: Ethyl Butyrate is a colorless liquid. It is used in manufacturing artificial rum; perfumery; the alcoholic solution constitutes the so-called "pineapple oil". It is also used in flavoring extracts, solvent mixture for cellulose esters and ethers.
HUMAN EXPOSURE AND TOXICITY: Tested at 5% in petrolatum, ethyl butyrate produced no irritation after a 48 hr closed-patch test in 25 human subjects.
ANIMAL STUDIES: Ethyl butyrate applied full strength to intact or abraded rabbit skin for 24 hr under occlusion was moderately irritating. In rabbits admin of 2.14 mL/kg caused increase in respiratory volume. In vitro it has been shown to have a hemolytic effect slightly greater than that of methyl butyrate.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Food Additive Safety (OFAS)
ETHYL BUTYRATE is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.
Receptors
Receptor REFERENCE EC50 [µM] Effective Concentration [µM]
OR1G1 details Activated
OR52D1 details Activated
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental GCMS view GCMS positive
Experimental LCMS view LCMS_Positive positive
Experimental LCMS view LCMS_Negative negative