<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:15:55 UTC</creation_date>
  <update_date>2026-08-25 12:57:00 UTC</update_date>
  <accession/>
  <common_name>Tris(1,3-Dichloroisopropyl) phosphate</common_name>
  <class>SmallMolecule</class>
  <description>Tris(1,3-Dichloroisopropyl) phosphate is an organic compound with the formula C9H15Cl6O4P and an average molecular weight of 430.89 g/mol. Tris(1,3-Dichloroisopropyl) phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. Industrially, it is utilized as a flame retardant (PMC8760154).

The compound has been identified in 31 recorded sources. These include electrical and electronic equipment such as antennas, amplifiers, television systems, radio transmission systems, and electric hearing aids. It is also found in building and construction materials, including floors, ceilings, waterproofing sprays, and tents or canopies, as well as in appliances and HVAC and refrigerants such as water heaters and water coolers. Environmental sources include aquatic systems and sediments, specifically seawater, freshwater, surface water, and groundwater, as well as drinking water and water supply sources including tap water, bottled water, and desalinated water. Additionally, it is released from wastewater, sanitation, and biosolids, including wastewater treatment effluent, industrial wastewater, mine wastewater, and unspecified wastewater.

Recorded exposure routes for Tris(1,3-Dichloroisopropyl) phosphate include touch, oral, and inhalation. Literature support specifically documents inhalation as an exposure route (PMC5052660, PMC8760154).</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms>
    <synonym>2-Propanol, 1,3-dichloro-, phosphate (3:1)</synonym>
    <synonym>TDCPP</synonym>
    <synonym>tris(1,3-dichloropropan-2-yl) phosphate</synonym>
    <synonym>tris[2-chloro-1-(chloromethyl)ethyl] phosphate</synonym>
  </synonyms>
  <chemical_formula>C9H15Cl6O4P</chemical_formula>
  <average_molecular_weight>430.89</average_molecular_weight>
  <monisotopic_moleculate_weight>427.8839122</monisotopic_moleculate_weight>
  <iupac_name>tris(1,3-dichloropropan-2-yl) phosphate</iupac_name>
  <traditional_iupac>tris(1,3-dichloropropan-2-yl) phosphate</traditional_iupac>
  <cas_registry_number>13674-87-8</cas_registry_number>
  <smiles>ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl</smiles>
  <inchi>InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2</inchi>
  <inchikey>ASLWPAWFJZFCKF-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>Trialkyl phosphates</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl chlorides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkyl chloride</substituent>
      <substituent>Alkyl halide</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Trialkyl phosphate</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic 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>3.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.26</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.68</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>8.91e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>4.28</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-9.1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>tris(1,3-dichloropropan-2-yl) phosphate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>430.89</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>427.8839122</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H15Cl6O4P</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ASLWPAWFJZFCKF-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>44.76</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>83.17</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>34.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>12</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>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>26177</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>24388</chemspider_id>
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</compound>
