<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:08:02 UTC</creation_date>
  <update_date>2026-08-22 13:54:51 UTC</update_date>
  <accession/>
  <common_name>Trimethyl phosphite</common_name>
  <class>SmallMolecule</class>
  <description>Trimethyl phosphite is an organic compound with the formula C3H9O4P and an average molecular weight of 140.07 g/mol. Trimethyl phosphite belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. Industrially, the compound is used as a solvent (PMC9401571).

The substance is found in or released from 30 recorded sources. These include household cleaning and consumer products such as soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and non electric simulated smoking devices. In the building and construction sector, it is associated with ladders, ceilings, and tents or canopies. It is also linked to food, food processing and cookware, specifically food preservation and food contact materials, as well as drinking water and water supply. Additionally, it is present in electrical and electronic equipment, including antennas, amplifiers, communication cables or conductors, coils, and conductors or conductive bodies characterised by the conductive materials, among 13 more sources. Recorded exposure routes for trimethyl phosphite include oral, inhalation, and touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Trimethyl phosphate</synonym>
    <synonym>trimethyl phosphate</synonym>
  </synonyms>
  <chemical_formula>C3H9O4P</chemical_formula>
  <average_molecular_weight>140.0749</average_molecular_weight>
  <monisotopic_moleculate_weight>140.023845288</monisotopic_moleculate_weight>
  <iupac_name>trimethyl phosphate</iupac_name>
  <traditional_iupac>trimethyl phosphate</traditional_iupac>
  <cas_registry_number>121-45-9</cas_registry_number>
  <smiles>COP(=O)(OC)OC</smiles>
  <inchi>InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3</inchi>
  <inchikey>WVLBCYQITXONBZ-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>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Trialkyl phosphate</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>trialkyl phosphate</descriptor>
    </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>0.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.61</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.53</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.17e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>trimethyl phosphate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>140.0749</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>140.023845288</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COP(=O)(OC)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C3H9O4P</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WVLBCYQITXONBZ-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>28.1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>11.56</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>3</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>
  <route_of_exposure/>
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  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227a987b0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>10541</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>10101</chemspider_id>
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</compound>
