<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 15:30:07 UTC</creation_date>
  <update_date>2026-04-03 15:30:07 UTC</update_date>
  <accession/>
  <common_name>3-Butenoic acid, ethyl ester</common_name>
  <class>SmallMolecule</class>
  <description>3-Butenoic acid, ethyl ester is an organic compound with the chemical formula C6H10O2 and an average molecular weight of 114.14 g/mol. 3-Butenoic acid, ethyl ester belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds.

This substance is found in or released from 34 recorded sources across several categories. In electrical and electronic equipment, it is associated with antennas, amplifiers, adjustable resistors, auxiliary devices, and communication cables or conductors, among 11 other sources. Within building and construction, it is identified in floors, ceilings, roofs, fencing, and sunshades awnings or outside screens, as well as two additional sources. In the realm of household cleaning and consumer products, the compound is linked to soap dispensers, tobacco pipes, cigar cigarettes, non electric simulated smoking devices, pipe accessories, and one other source. Furthermore, it is found in food, food processing and cookware, specifically in the treatment of hops, the processing of meats, and the preparation of wine or sparkling wine. Finally, it is released from household items including key rings and credit card holders.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1617181</synonym>
    <synonym>2-methyl-3-pentenoate</synonym>
    <synonym>3-Butenoic acid ethyl ester</synonym>
    <synonym>3-Butenoic acid, ethyl ester</synonym>
    <synonym>3-Butenoic acid, ethylester</synonym>
    <synonym>But-3-enoic acid ethyl ester</synonym>
    <synonym>Ethyl 3-butenoate</synonym>
    <synonym>ethyl but-3-enoate</synonym>
    <synonym>ethyl-3-butenoate</synonym>
    <synonym>ETHYL3-BUTENOATE</synonym>
    <synonym>MFCD07779251</synonym>
    <synonym>[1617-18-1]</synonym>
  </synonyms>
  <chemical_formula>C6H10O2</chemical_formula>
  <average_molecular_weight>114.144</average_molecular_weight>
  <monisotopic_moleculate_weight>114.06808</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1617-18-1</cas_registry_number>
  <smiles>CCOC(=O)CC=C</smiles>
  <inchi>InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3H,1,4-5H2,2H3</inchi>
  <inchikey>BFMKFCLXZSUVPI-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Fatty Acyls</class>
    <sub_class>Fatty acid esters</sub_class>
    <direct_parent>Fatty acid esters</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acid esters</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid ester</substituent>
      <substituent>Fatty acid ester</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>114.144</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>114.06808</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCOC(=O)CC=C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H10O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3H,1,4-5H2,2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BFMKFCLXZSUVPI-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae0c3ac8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>74172</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>66782</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <general_references/>
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</compound>
