<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 10:08:53 UTC</creation_date>
  <update_date>2026-05-20 19:02:15 UTC</update_date>
  <accession/>
  <common_name>Ethyl 2-acetyl-2-allylpent-4-ene-1-oate</common_name>
  <class>SmallMolecule</class>
  <description>Ethyl 2-acetyl-2-allylpent-4-ene-1-oate is an organic compound with the formula C12H18O3 and an average molecular weight of 210.27 g/mol. Ethyl 2-acetyl-2-allylpent-4-ene-1-oate belongs to the beta-keto acids and derivatives, a subclass of keto acids and derivatives within the organic compounds. This substance has been found in or released from one recorded source: indoor air, specifically air, dust, and atmospheric transport. The recorded route of exposure for this compound is inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-Acetyl-2-allylpent-4-enoic acid, ethyl ester</synonym>
    <synonym>222-508-3</synonym>
    <synonym>4-Pentenoic acid, 2-acetyl-2-(2-propen-1-yl)-, ethyl ester</synonym>
    <synonym>4-Pentenoic acid, 2-acetyl-2-(2-propenyl)-, ethyl ester</synonym>
    <synonym>Ethyl 2-acetyl-2-allyl-4-pentenoate</synonym>
    <synonym>ethyl 2-acetyl-2-allylpent-4-ene-1-oate</synonym>
    <synonym>ethyl 2-acetyl-2-allylpent-4-enoate</synonym>
    <synonym>ethyl 2-acetyl-2-prop-2-enylpent-4-enoate</synonym>
  </synonyms>
  <chemical_formula>C12H18O3</chemical_formula>
  <average_molecular_weight>210.273</average_molecular_weight>
  <monisotopic_moleculate_weight>210.125594</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>3508-77-8</cas_registry_number>
  <smiles>CCOC(=O)C(CC=C)(CC=C)C(C)=O</smiles>
  <inchi>InChI=1S/C12H18O3/c1-5-8-12(9-6-2,10(4)13)11(14)15-7-3/h5-6H,1-2,7-9H2,3-4H3</inchi>
  <inchikey>IOZNORWPBHWYBA-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <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>210.273</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>210.125594</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCOC(=O)C(CC=C)(CC=C)C(C)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H18O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H18O3/c1-5-8-12(9-6-2,10(4)13)11(14)15-7-3/h5-6H,1-2,7-9H2,3-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>IOZNORWPBHWYBA-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72223f48a0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>77045</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>69491</chemspider_id>
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