<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:33:30 UTC</creation_date>
  <update_date>2026-08-18 22:41:22 UTC</update_date>
  <accession/>
  <common_name>2-(2-Hydroxy-5-Methylphenyl)Benzotriazole</common_name>
  <class>SmallMolecule</class>
  <description>2-(2-Hydroxy-5-Methylphenyl)Benzotriazole (C13H11N3O) is an organic compound with an average molecular weight of 225.25 g/mol. 2-(2-Hydroxy-5-Methylphenyl)Benzotriazole belongs to the triazoles, a subclass of azoles within the organic compounds. Industrially, this substance is utilized as a UV stabilizer, a stabilizing agent, a fragrance, and a dye.

The compound has been identified in 44 recorded sources across multiple sectors. Within electrical and electronic equipment, it is found in antennas, auxiliary devices, coils, cores yokes or armatures, and communication cables or conductors, among others. In the building and construction sector, it is present in ceilings, fencing, roofs, stairs and ramps, and waterproofing sprays. It is also detected in drinking water and water supply systems, including tap water, bottled water, desalinated water, and drinking water. Environmental presence is noted in aquatic systems and sediments, specifically in freshwater, seawater, surface water, and groundwater. Additionally, the compound is found in wastewater, sanitation, and biosolids, including unspecified wastewater, industrial wastewater, mine wastewater, and wastewater treatment effluent. In the food sector, it is associated with food contact materials and the processing of meats and fish. Recorded exposure routes for this compound include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms>
    <synonym>2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenol</synonym>
    <synonym>2-(2H-Benzotriazol-2-yl)-4-methylphenol</synonym>
    <synonym>2-(2H-benzotriazol-2-yl)-p-cresol</synonym>
  </synonyms>
  <chemical_formula>C13H11N3O</chemical_formula>
  <average_molecular_weight>225.251</average_molecular_weight>
  <monisotopic_moleculate_weight>225.090211986</monisotopic_moleculate_weight>
  <iupac_name>2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenol</iupac_name>
  <traditional_iupac>drometrizole</traditional_iupac>
  <cas_registry_number>2440-22-4</cas_registry_number>
  <smiles>CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1</smiles>
  <inchi>InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3</inchi>
  <inchikey>MCPKSFINULVDNX-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Azoles</class>
    <sub_class>Triazoles</sub_class>
    <direct_parent>Phenyl-1,2,3-triazoles</direct_parent>
    <alternate_parents>
      <alternative_parent>1-hydroxy-2-unsubstituted benzenoids</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzotriazoles</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Para cresols</alternative_parent>
      <alternative_parent>Toluenes</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1-hydroxy-2-unsubstituted benzenoid</substituent>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Benzotriazole</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>P-cresol</substituent>
      <substituent>Phenol</substituent>
      <substituent>Phenyl-1,2,3-triazole</substituent>
      <substituent>Toluene</substituent>
    </substituents>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.64</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.74</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.08e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.19</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>9.67</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-0.38</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>225.251</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>225.090211986</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=CC(N2N=C3C=CC=CC3=N2)=C(O)C=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H11N3O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>MCPKSFINULVDNX-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>50.94</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>76.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>24.18</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</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:0x00007f3bf3296a40&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB20054</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>17113</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>16197</chemspider_id>
  <kegg_id/>
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  <wikipidia/>
  <general_references/>
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  </targets>
</compound>
