<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-27 01:01:06 UTC</creation_date>
  <update_date>2026-05-20 18:54:48 UTC</update_date>
  <accession/>
  <common_name>(2E)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-2-enal</common_name>
  <class>SmallMolecule</class>
  <description>(2E)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-2-enal belongs to the 1,3-dioxanes, a subclass of dioxanes within the organic compounds. This organoheterocyclic compound has the chemical formula C10H16O3. It has been identified in one recorded source, specifically within indoor air, dust, and atmospheric transport. The recorded route of exposure for this compound is inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-Propenal, 3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methyl-</synonym>
    <synonym>3-(5,5-Dimethyl-1,3-dioxan-2-yl)-2-methylacrylaldehyde</synonym>
  </synonyms>
  <chemical_formula>C10H16O3</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>184.109944</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>111127-30-1;51575-61-2</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C10H16O3/c1-8(5-11)4-9-12-6-10(2,3)7-13-9/h4-5,9H,6-7H2,1-3H3</inchi>
  <inchikey>IKGLKDCWHOWCMD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Dioxanes</class>
    <sub_class>1,3-dioxanes</sub_class>
    <direct_parent>1,3-dioxanes</direct_parent>
    <alternate_parents>
      <alternative_parent>Acetals</alternative_parent>
      <alternative_parent>Aldehydes</alternative_parent>
      <alternative_parent>Enals</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acetal</substituent>
      <substituent>Aldehyde</substituent>
      <substituent>Aliphatic heteromonocyclic compound</substituent>
      <substituent>Alpha,beta-unsaturated aldehyde</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Enal</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Meta-dioxane</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Oxacycle</substituent>
    </substituents>
    <molecular_framework>Aliphatic heteromonocyclic 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>mono_mass</kind>
      <value>184.109944</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H16O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H16O3/c1-8(5-11)4-9-12-6-10(2,3)7-13-9/h4-5,9H,6-7H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>IKGLKDCWHOWCMD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <toxicity/>
  <lethaldose/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>71335481</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>9053065</chemspider_id>
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