<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:32:29 UTC</creation_date>
  <update_date>2026-08-19 08:26:05 UTC</update_date>
  <accession/>
  <common_name>9,10-Anthraquinone</common_name>
  <class>SmallMolecule</class>
  <description>9,10-Anthraquinone (C14H8O2) is a chemical compound with an average molecular weight of 208.21 g/mol. 9,10-Anthraquinone belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. Industrially, it is utilized as a dye, surface modifier, and intermediate, while it acts as a biological antioxidant (PMC12207261).

The compound is found in or released from 49 recorded sources across several sectors. These include electrical and electronic equipment, such as amplifiers, antennas, auxiliary devices, coils, and adjustable resistors; building and construction materials, including fencing, ladders, stairs and ramps, and sunshades awnings or outside screens; and food, food processing and cookware, specifically regarding food contact materials, food preservation, processing meats, the treatment of hops, and the preparation of wine or sparkling wine. Additionally, it is associated with household cleaning and consumer products, including soap detergents, bleaching agents, tobacco smoke filters, cigar cigarettes, and perfumes within detergents and soaps. It is also found in drinking water, water supply, and agriculture and land management via pesticides. Recorded exposure routes include oral, inhalation, and touch.

Regarding health effects, 9,10-Anthraquinone is associated with malaria (PMC4876981). It is also linked to a decrease in jaundice (PMC12623935) and a decrease in cancer (PMC9169564).</description>
  <categories/>
  <types>
    <type>Pesticide</type>
  </types>
  <synonyms>
    <synonym>9,10-Anthraquinone-d8</synonym>
    <synonym>anthraquinone</synonym>
    <synonym>Anthraquinone</synonym>
    <synonym>Polymer substituted anthraquinone derivative (PROVISIONAL)</synonym>
  </synonyms>
  <chemical_formula>C14H8O2</chemical_formula>
  <average_molecular_weight>208.2121</average_molecular_weight>
  <monisotopic_moleculate_weight>208.0524295</monisotopic_moleculate_weight>
  <iupac_name>9,10-dihydroanthracene-9,10-dione</iupac_name>
  <traditional_iupac>anthraquinone</traditional_iupac>
  <cas_registry_number>84-65-1</cas_registry_number>
  <smiles>O=C1C2=CC=CC=C2C(=O)C2=CC=CC=C12</smiles>
  <inchi>InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H</inchi>
  <inchikey>RZVHIXYEVGDQDX-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>Aryl ketones</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>9,10-anthraquinone</substituent>
      <substituent>Anthraquinone</substituent>
      <substituent>Aromatic homopolycyclic compound</substituent>
      <substituent>Aryl ketone</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Ketone</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <molecular_framework>Aromatic homopolycyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Bird repellent</descriptor>
      <descriptor>an anthraquinone</descriptor>
      <descriptor>anthraquinone</descriptor>
    </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>3.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.83</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.65</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.64e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.92</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-7.3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>9,10-dihydroanthracene-9,10-dione</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>208.2121</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>208.0524295</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O=C1C2=CC=CC=C2C(=O)C2=CC=CC=C12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C14H8O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RZVHIXYEVGDQDX-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>34.14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>61.15</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>21.46</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</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:0x00007f3bbff2ca90&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6780</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>13835294</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
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</compound>
