<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 04:48:50 UTC</creation_date>
  <update_date>2026-05-20 21:28:59 UTC</update_date>
  <accession/>
  <common_name>Beta-Asarone</common_name>
  <class>SmallMolecule</class>
  <description>Beta-Asarone is an organic compound with the formula C12H16O3 and an average molecular weight of 208.26 g/mol. Beta-Asarone belongs to the anisoles, a subclass of phenol ethers within the organic compounds.

This compound is found in or released from 14 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with batteries, capacitors, cell phones, printed circuit boards, wires and cables, and one additional source. In the food, food processing and cookware sector, it is found in food packaging and the preparation of vinegar. Its presence is also recorded in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. Additionally, it is found in medical devices within the healthcare, pharmaceuticals and veterinary products sector. In the energy, oil and gas sector as well as industrial manufacturing and chemical processing, it is associated with lubricants. One other sector is also recorded as a source. Recorded exposure routes for Beta-Asarone include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
    <type>Phytotoxin</type>
  </types>
  <synonyms>
    <synonym>(E)-1,2,4-Trimethoxy-5-(1-propenyl)benzene</synonym>
    <synonym>(E)-1,2,4-trimethoxy-5-prop-1-enylbenzene</synonym>
    <synonym>(Z)-1,2,4-Trimethoxy-5-(1-propenyl)benzene</synonym>
    <synonym>(Z)-5-Propenyl-1,2,4-trimethoxybenzene</synonym>
    <synonym>(Z)-Asarone</synonym>
    <synonym>.beta.-Asarone</synonym>
    <synonym>1,2,4-TrimÃƒÆ’Ã‚Â©thoxy-5-[(1Z)-1-propÃƒÆ’Ã‚Â¨n-1-yl]benzÃƒÆ’Ã‚Â¨ne</synonym>
    <synonym>1,2,4-Trimethoxy-5-((Z)-1-propenyl)benzene</synonym>
    <synonym>1,2,4-trimethoxy-5-(1Z)-1-propen-1-yl-benzene</synonym>
    <synonym>1,2,4-trimethoxy-5-propenyl-benzene</synonym>
    <synonym>1,2,4-trimethoxy-5-propenylbenzene</synonym>
    <synonym>1,2,4-Trimethoxy-5-[(1Z)-1-propen-1-yl]benzene</synonym>
    <synonym>1,2,4-Trimethoxy-5-[(1Z)-1-propen-1-yl]benzol</synonym>
    <synonym>1,2,4-trimethoxy-5-[(1Z)-prop-1-en-1-yl]benzene</synonym>
    <synonym>1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene</synonym>
    <synonym>1,?2,?4-?TRIMETHOXY-?5-?(1E)-?1-?PROPEN-?1-?YL-?BENZENE</synonym>
    <synonym>2,4,5-Trimethoxy-1-propenylbenzene</synonym>
    <synonym>2,4,5-trimethoxypropen-1-ylbenzene</synonym>
    <synonym>226-096-6</synonym>
    <synonym>?-Asarone</synonym>
    <synonym>??-Asarone</synonym>
    <synonym>a-Asarone</synonym>
    <synonym>alpha-Asarone</synonym>
    <synonym>Asarabacca camphor</synonym>
    <synonym>Asaron</synonym>
    <synonym>Asarone,beta</synonym>
    <synonym>Asarum camphor</synonym>
    <synonym>b-Asarone</synonym>
    <synonym>Benzene, 1,2,4-trimethoxy-5- (1-propenyl)-</synonym>
    <synonym>Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-</synonym>
    <synonym>Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)-</synonym>
    <synonym>Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-</synonym>
    <synonym>Benzene, 1,2,4-trimethoxy-5-propenyl-</synonym>
    <synonym>Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)-</synonym>
    <synonym>Benzene, 1,2,4-trimethoxy-5-propenyl-, (Z)-</synonym>
    <synonym>Benzene, 1,2,4-trimethoxy-5-propenyl-, trans-</synonym>
    <synonym>Benzene, 1,2,4-trimethoxy-5-[(1Z)-1-propen-1-yl]-</synonym>
    <synonym>BETA-ASARONE</synonym>
    <synonym>beta-ASARONE with GC</synonym>
    <synonym>cis-1-Propenyl-2,4,5-trimethoxybenzene</synonym>
    <synonym>cis-2,4,5-Trimethoxy-1-propenylbenzene</synonym>
    <synonym>cis-2,4,5-trimethoxyphenylpropene</synonym>
    <synonym>cis-2,4,5-Trimethoxypropenylbenzene</synonym>
    <synonym>cis-Asarone</synonym>
    <synonym>cis-Isoasarone</synonym>
    <synonym>cis-isoelemicin</synonym>
    <synonym>EINECS 220-743-6</synonym>
    <synonym>Etherophenol</synonym>
    <synonym>MFCD00009281</synonym>
    <synonym>trans-Asarone</synonym>
    <synonym>trans-Isoasaron</synonym>
    <synonym>trans-Isoasarone</synonym>
    <synonym>UNII-IGA3MH6IUW</synonym>
    <synonym>UNII:IGA3MH6IUW</synonym>
    <synonym>[5273-86-9]</synonym>
  </synonyms>
  <chemical_formula>C12H16O3</chemical_formula>
  <average_molecular_weight>208.257</average_molecular_weight>
  <monisotopic_moleculate_weight>208.109944</monisotopic_moleculate_weight>
  <iupac_name>1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene</iupac_name>
  <traditional_iupac>asarone</traditional_iupac>
  <cas_registry_number>5273-86-9</cas_registry_number>
  <smiles>COC1=CC(OC)=C(OC)C=C1\C=C/C</smiles>
  <inchi>InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-</inchi>
  <inchikey>RKFAZBXYICVSKP-WAYWQWQTSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Phenol ethers</class>
    <sub_class>Anisoles</sub_class>
    <direct_parent>Anisoles</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl aryl ethers</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Methoxybenzenes</alternative_parent>
      <alternative_parent>Phenoxy compounds</alternative_parent>
      <alternative_parent>Styrenes</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alkyl aryl ether</substituent>
      <substituent>Anisole</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Methoxybenzene</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Phenoxy compound</substituent>
      <substituent>Styrene</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>asarone</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.35</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.78</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.49e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.62</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>208.257</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>208.109944</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC1=CC(OC)=C(OC)C=C1\C=C/C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H16O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RKFAZBXYICVSKP-WAYWQWQTSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>27.69</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>60.81</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>23.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baed75140&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>5281758</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>4445072</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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  </targets>
</compound>
