<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 16:09:48 UTC</creation_date>
  <update_date>2026-04-06 16:09:48 UTC</update_date>
  <accession/>
  <common_name>2-Methyl-3-[4-(propan-2-yl)phenyl]propanal</common_name>
  <class>SmallMolecule</class>
  <description>2-Methyl-3-[4-(propan-2-yl)phenyl]propanal is an organic compound with the formula C13H18O. 2-Methyl-3-[4-(propan-2-yl)phenyl]propanal belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This substance is found in or released from two recorded sources, specifically household cleaning and consumer products, where it is used in soap detergents and perfumes within detergents and soaps.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C13H18O</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight/>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles/>
  <inchi>InChI=1S/C13H18O/c1-10(2)12-4-6-13(7-5-12)11(3)8-9-14/h4-7,9-11H,8H2,1-3H3</inchi>
  <inchikey>HQQPOVNESMNPNH-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <sub_class/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>formula</kind>
      <value>C13H18O</value>
      <source>ChemAxon</source>
    </property>
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      <value>InChI=1S/C13H18O/c1-10(2)12-4-6-13(7-5-12)11(3)8-9-14/h4-7,9-11H,8H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>HQQPOVNESMNPNH-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>7687</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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