<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-02 22:44:04 UTC</creation_date>
  <update_date>2026-08-21 23:16:05 UTC</update_date>
  <accession/>
  <common_name>Domiphen</common_name>
  <class>SmallMolecule</class>
  <description>Domiphen is an organic compound with the chemical formula C22H40N1O1 and an average molecular weight of 334.57 g/mol. Domiphen belongs to the phenol ethers, a class of benzenoids within the organic compounds.

This substance is found in or released from six recorded sources. Within the category of household cleaning and consumer products, it is present in soap detergents, bleaching agents, and perfumes within detergents and soaps. It is utilized in food preservation within the food, food processing, and cookware sector. Additionally, it is used in electrodes for electrical and electronic equipment and in stomatological preparations for healthcare, pharmaceuticals, and veterinary products. Recorded exposure routes for domiphen include topical and oral administration.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(beta-phenoxyethyl)dimethyldodecylammonium</synonym>
    <synonym>1-dodecanaminium, n,n-dimethyl-n-(2-phenoxyethyl)</synonym>
    <synonym>1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-</synonym>
    <synonym>4AZL56CU0F</synonym>
    <synonym>ALD-N037844</synonym>
    <synonym>dodecyl-dimethyl-[2-(phenoxy)ethyl]ammonium</synonym>
    <synonym>dodecyl-dimethyl-[2-(phenoxy)ethyl]azanium</synonym>
    <synonym>Dodecyldimethyl(2-phenoxyethyl)ammonium</synonym>
    <synonym>DOMIPHEN</synonym>
    <synonym>Domiphen cation</synonym>
    <synonym>Domiphen ion</synonym>
    <synonym>lauryl-dimethyl-[2-(phenoxy)ethyl]ammonium</synonym>
    <synonym>N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium</synonym>
    <synonym>N,N-dimethyl-N-(2-phenoxyethyl)dodecan-1-aminium</synonym>
    <synonym>Phenododecinium</synonym>
    <synonym>UNII-4AZL56CU0F</synonym>
    <synonym>UNII:4AZL56CU0F</synonym>
  </synonyms>
  <chemical_formula>C22H40N1O1</chemical_formula>
  <average_molecular_weight>334.567</average_molecular_weight>
  <monisotopic_moleculate_weight>334.31099</monisotopic_moleculate_weight>
  <iupac_name>dodecyldimethyl(2-phenoxyethyl)azanium</iupac_name>
  <traditional_iupac>dodecyldimethyl(2-phenoxyethyl)azanium</traditional_iupac>
  <cas_registry_number>13900-14-6</cas_registry_number>
  <smiles>CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C22H40NO/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/q+1</inchi>
  <inchikey>YXUPZGKORWTXID-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Phenol ethers</class>
    <sub_class/>
    <direct_parent>Phenol ethers</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl aryl ethers</alternative_parent>
      <alternative_parent>Amines</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic cations</alternative_parent>
      <alternative_parent>Organic salts</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Phenoxy compounds</alternative_parent>
      <alternative_parent>Tetraalkylammonium salts</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alkyl aryl ether</substituent>
      <substituent>Amine</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organic cation</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Phenol ether</substituent>
      <substituent>Phenoxy compound</substituent>
      <substituent>Quaternary ammonium salt</substituent>
      <substituent>Tetraalkylammonium salt</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Domiphen Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144727</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.55</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.10</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-7.89</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.80e-06 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.55</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>dodecyldimethyl(2-phenoxyethyl)azanium</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>334.567</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>334.31099</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C22H40N1O1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C22H40NO/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/q+1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YXUPZGKORWTXID-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>9.23</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>117.14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>44.63</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>15</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>1</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:0x00007f72263c7b30&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB11594</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>3149</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>3037</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>
