<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:21:55 UTC</creation_date>
  <update_date>2026-08-20 06:28:23 UTC</update_date>
  <accession/>
  <common_name>Phosphorous acid, 2-ethylhexyl diphenyl ester</common_name>
  <class>SmallMolecule</class>
  <description>Phosphorous acid, 2-ethylhexyl diphenyl ester is an organic compound with the formula C20H27O3P and an average molecular weight of 346.41 g/mol. Phosphorous acid, 2-ethylhexyl diphenyl ester belongs to the phenoxy compounds, a subclass of benzene and substituted derivatives within the organic compounds.

In industrial applications, this compound serves as a heat stabilizer, an antioxidant, and a chelating agent. It has been identified in eight recorded sources, including drinking water and water supply systems. Within the building and construction sector, it is found in fencing as well as stairs and ramps. Additionally, it is associated with electrical and electronic equipment, specifically in antennas, relays, power cables, emergency protective devices, and radio transmission systems. The recorded exposure route for this substance is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-ethylhexyl diphenyl phosphite</synonym>
  </synonyms>
  <chemical_formula>C20H27O3P</chemical_formula>
  <average_molecular_weight>346.407</average_molecular_weight>
  <monisotopic_moleculate_weight>346.169781727</monisotopic_moleculate_weight>
  <iupac_name>2-ethylhexyl diphenyl phosphite</iupac_name>
  <traditional_iupac>2-ethylhexyl diphenyl phosphite</traditional_iupac>
  <cas_registry_number>15647-08-2</cas_registry_number>
  <smiles>CCCCC(CC)COP(OC1=CC=CC=C1)OC1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3</inchi>
  <inchikey>XKZGIJICHCVXFV-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Phenoxy compounds</sub_class>
    <direct_parent>Phenoxy compounds</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic phosphites</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic phosphite</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>6.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>6.52</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.35</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.56e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>7.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-1.1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-ethylhexyl diphenyl phosphite</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>346.407</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>346.169781727</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCC(CC)COP(OC1=CC=CC=C1)OC1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C20H27O3P</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XKZGIJICHCVXFV-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>27.69</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>99.68</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>38.64</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</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/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>85888</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>77475</chemspider_id>
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</compound>
