<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-06-03 10:05:57 UTC</creation_date>
  <update_date>2026-08-22 10:06:35 UTC</update_date>
  <accession/>
  <common_name>tetraphenyl m-phenylene bis(phosphate)</common_name>
  <class>SmallMolecule</class>
  <description>tetraphenyl m-phenylene bis(phosphate) belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. With an average molecular weight of 574.46 g/mol, tetraphenyl m-phenylene bis(phosphate) is a heavy molecule. It has the chemical formula C30H24O8P2.

In industrial settings, this compound is used as a flame retardant. It has been identified in five recorded sources, including food contact materials, indoor air, and drinking water and water supply. It is also found in electrical and electronic equipment, specifically in communication cables, conductors, and antennas. Human exposure to the substance may occur through oral, inhalation, and touch routes.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C30H24O8P2</chemical_formula>
  <average_molecular_weight>574.462</average_molecular_weight>
  <monisotopic_moleculate_weight>574.094641729</monisotopic_moleculate_weight>
  <iupac_name>3-[(diphenoxyphosphoryl)oxy]phenyl diphenyl phosphate</iupac_name>
  <traditional_iupac>3-[(diphenoxyphosphoryl)oxy]phenyl diphenyl phosphate</traditional_iupac>
  <cas_registry_number>57583-54-7</cas_registry_number>
  <smiles>O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)=CC=C1</smiles>
  <inchi>InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H</inchi>
  <inchikey>OWICEWMBIBPFAH-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Organic phosphoric acids and derivatives</class>
    <sub_class>Phosphate esters</sub_class>
    <direct_parent>Aryl phosphotriesters</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Phenoxy compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Aryl phosphotriester</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Phenoxy compound</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/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>7.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.86</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-5.12</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.39e-03 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>8.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-9.1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>3-[(diphenoxyphosphoryl)oxy]phenyl diphenyl phosphate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>574.462</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>574.094641729</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC(OP(=O)(OC2=CC=CC=C2)OC2=CC=CC=C2)=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C30H24O8P2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OWICEWMBIBPFAH-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>89.52</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>148.81</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>54.37</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>12</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/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>93311</pubchem_compound_id>
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  <chemspider_id>84241</chemspider_id>
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</compound>
