<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:17:10 UTC</creation_date>
  <update_date>2026-08-31 19:08:21 UTC</update_date>
  <accession/>
  <common_name>Tris(2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl) phosphate</common_name>
  <class>SmallMolecule</class>
  <description>Tris(2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl) phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. With an average molecular weight of 1,608 g/mol, Tris(2-{ethyl[(pentadecafluoroheptyl)sulfonyl]amino}ethyl) phosphate is a heavy molecule. This compound is characterized by the chemical formula C33H27F45N3O10PS3.

The substance is found in or released from 13 recorded sources across several diverse sectors. Within Electrical &amp; Electronic Equipment, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. In the realm of textiles, leather &amp; furnishings, it is found in carpets, rugs, and synthetic textiles. Its presence is also recorded in food packaging within the food, food processing &amp; cookware sector, as well as in medical devices used in healthcare, pharmaceuticals &amp; veterinary products. Additionally, the compound is utilized as lubricants in both industrial manufacturing &amp; chemical processing and in the energy, oil &amp; gas sectors, along with one other sector. Recorded exposure routes for this compound include touch, oral, and inhalation.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C33H27F45N3O10PS3</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>1606.987762</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>67939-94-0</cas_registry_number>
  <smiles>CCN(CCOP(=O)(OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F</smiles>
  <inchi>InChI=1S/C33H27F45N3O10PS3/c1-4-79(93(83,84)31(73,74)25(58,59)19(46,47)13(34,35)16(40,41)22(52,53)28(64,65)66)7-10-89-92(82,90-11-8-80(5-2)94(85,86)32(75,76)26(60,61)20(48,49)14(36,37)17(42,43)23(54,55)29(67,68)69)91-12-9-81(6-3)95(87,88)33(77,78)27(62,63)21(50,51)15(38,39)18(44,45)24(56,57)30(70,71)72/h4-12H2,1-3H3</inchi>
  <inchikey>DPBVCOWHHLIHJN-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <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>14.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>1606.987762</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCN(CCOP(=O)(OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C33H27F45N3O10PS3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C33H27F45N3O10PS3/c1-4-79(93(83,84)31(73,74)25(58,59)19(46,47)13(34,35)16(40,41)22(52,53)28(64,65)66)7-10-89-92(82,90-11-8-80(5-2)94(85,86)32(75,76)26(60,61)20(48,49)14(36,37)17(42,43)23(54,55)29(67,68)69)91-12-9-81(6-3)95(87,88)33(77,78)27(62,63)21(50,51)15(38,39)18(44,45)24(56,57)30(70,71)72/h4-12H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DPBVCOWHHLIHJN-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:0x00007f3bf824fa00&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>163169</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>143206</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets/>
</compound>
