<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 08:36:57 UTC</creation_date>
  <update_date>2026-08-19 14:47:20 UTC</update_date>
  <accession/>
  <common_name>C.I. Disperse Blue 26</common_name>
  <class>SmallMolecule</class>
  <description>C.I. Disperse Blue 26 is an organic compound with the formula C16H14N2O4 and an average molecular weight of 298.30 g/mol. C.I. Disperse Blue 26 belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. This substance is categorized under the benzenoids superclass. It has been identified in or released from two recorded sources, which include bleaching agents used in household cleaning and consumer products, as well as electric switches found in electrical and electronic equipment.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,5-Dihydroxy-4,8-bis(methylamino)-9,10-anthraquinone</synonym>
    <synonym>1,5-DIHYDROXY-4,8-BIS(METHYLAMINO)-9,10-DIHYDROANTHRACENE-9,10-DIONE</synonym>
    <synonym>1,5-dihydroxy-4,8-bis(methylamino)anthracene-9,10-dione</synonym>
    <synonym>1,5-dihydroxy-4,8-bis(methylamino)anthraquinone</synonym>
    <synonym>9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis(methylamino)-</synonym>
    <synonym>C.I. DISPERSE BLUE 26</synonym>
    <synonym>Disperse blue 26</synonym>
    <synonym>Disperse Blue 26 (Technical product, mixture of congeners)</synonym>
  </synonyms>
  <chemical_formula>C16H14N2O4</chemical_formula>
  <average_molecular_weight>298.298</average_molecular_weight>
  <monisotopic_moleculate_weight>298.095357</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>3860-63-7</cas_registry_number>
  <smiles>CNC1=CC=C(O)C2=C1C(=O)C1=C(O)C=CC(NC)=C1C2=O</smiles>
  <inchi>InChI=1S/C16H14N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)14-10(20)6-4-8(18-2)12(14)16(13)22/h3-6,17-20H,1-2H3</inchi>
  <inchikey>OKZNPGWYVNZKKZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Anthracenes</class>
    <sub_class>Anthraquinones</sub_class>
    <direct_parent>Anthraquinones</direct_parent>
    <alternate_parents>
      <alternative_parent>1-hydroxy-2-unsubstituted benzenoids</alternative_parent>
      <alternative_parent>Aryl ketones</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Secondary alkylarylamines</alternative_parent>
      <alternative_parent>Vinylogous acids</alternative_parent>
      <alternative_parent>Vinylogous amides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1-hydroxy-2-unsubstituted benzenoid</substituent>
      <substituent>9,10-anthraquinone</substituent>
      <substituent>Amine</substituent>
      <substituent>Anthraquinone</substituent>
      <substituent>Aromatic homopolycyclic compound</substituent>
      <substituent>Aryl ketone</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Ketone</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Secondary aliphatic/aromatic amine</substituent>
      <substituent>Secondary amine</substituent>
      <substituent>Vinylogous acid</substituent>
      <substituent>Vinylogous amide</substituent>
    </substituents>
    <molecular_framework>Aromatic homopolycyclic 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>3.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>298.298</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>298.095357</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CNC1=CC=C(O)C2=C1C(=O)C1=C(O)C=CC(NC)=C1C2=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H14N2O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H14N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)14-10(20)6-4-8(18-2)12(14)16(13)22/h3-6,17-20H,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OKZNPGWYVNZKKZ-UHFFFAOYSA-N</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:0x00007f726c7ab238&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>19729</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>18585</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <general_references/>
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</compound>
