<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-02 22:55:47 UTC</creation_date>
  <update_date>2026-09-01 08:36:55 UTC</update_date>
  <accession/>
  <common_name>3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, hydrogen phosphate</common_name>
  <class>SmallMolecule</class>
  <description>3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, hydrogen phosphate belongs to the phenol ethers, a class of benzenoids within the organic compounds. With an average molecular weight of 1,296 g/mol, 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, hydrogen phosphate is a heavy molecule. Its chemical formula is C66H119O22P1.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>266-218-5</synonym>
    <synonym>3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, hydrogen phosphate</synonym>
    <synonym>Bis[26-(2-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl] hydrogen phosphate</synonym>
    <synonym>BIS{[26-(2-NONYLPHENOXY)-3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-YL]OXY}PHOSPHINIC ACID</synonym>
    <synonym>Di(nonylphenol nona(oxyethylene))hydrogen phosphate</synonym>
    <synonym>Nonyl nonoxynol-9 phosphate</synonym>
    <synonym>PEG-9 Dinonyl phenyl ether phosphate</synonym>
    <synonym>Polyethylene glycol 450 dinonyl phenyl ether phosphate</synonym>
    <synonym>Polyoxyethylene (9) dinonyl phenyl ether phosphate</synonym>
  </synonyms>
  <chemical_formula>C66H119O22P1</chemical_formula>
  <average_molecular_weight>1295.63</average_molecular_weight>
  <monisotopic_moleculate_weight>1294.793062</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>66172-82-5</cas_registry_number>
  <smiles>CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=C(CCCCCCCCC)C=CC=C1</smiles>
  <inchi>InChI=1S/C66H119O22P/c1-3-5-7-9-11-13-15-21-63-23-17-19-25-65(63)85-59-55-81-51-47-77-43-39-73-35-31-69-27-29-71-33-37-75-41-45-79-49-53-83-57-61-87-89(67,68)88-62-58-84-54-50-80-46-42-76-38-34-72-30-28-70-32-36-74-40-44-78-48-52-82-56-60-86-66-26-20-18-24-64(66)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-62H2,1-2H3,(H,67,68)</inchi>
  <inchikey>BNRFIASCHNQOIV-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>9.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>1295.63</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>1294.793062</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=C(CCCCCCCCC)C=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C66H119O22P1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C66H119O22P/c1-3-5-7-9-11-13-15-21-63-23-17-19-25-65(63)85-59-55-81-51-47-77-43-39-73-35-31-69-27-29-71-33-37-75-41-45-79-49-53-83-57-61-87-89(67,68)88-62-58-84-54-50-80-46-42-76-38-34-72-30-28-70-32-36-74-40-44-78-48-52-82-56-60-86-66-26-20-18-24-64(66)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-62H2,1-2H3,(H,67,68)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BNRFIASCHNQOIV-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>105316</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>94999</chemspider_id>
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  <biocyc_id/>
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  <general_references/>
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</compound>
