<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:20:16 UTC</creation_date>
  <update_date>2026-08-22 15:31:06 UTC</update_date>
  <accession/>
  <common_name>Trimethoxymethane</common_name>
  <class>SmallMolecule</class>
  <description>Trimethoxymethane is an organic compound with the formula C4H10O3 and an average molecular weight of 106.12 g/mol. Trimethoxymethane belongs to the ortho esters, a subclass of organooxygen compounds within the organic compounds.

This substance has been identified in or released from 19 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, conductors or conductive bodies characterised by the conductive materials, discharge lamps, electric switches, and electrodes, among five other sources. It is also found in household cleaning and consumer products, including bleaching agents, cigar cigarettes, perfumes within detergents and soaps, pipe accessories, soap detergents, and one additional source. Furthermore, the compound is present in food, food processing and cookware, specifically in food preservation and fermentation processes for beer. It has also been recorded in drinking water and water supply. The recorded route of exposure for trimethoxymethane is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>trimethyl orthoformate</synonym>
  </synonyms>
  <chemical_formula>C4H10O3</chemical_formula>
  <average_molecular_weight>106.121</average_molecular_weight>
  <monisotopic_moleculate_weight>106.062994182</monisotopic_moleculate_weight>
  <iupac_name>trimethoxymethane</iupac_name>
  <traditional_iupac>trimethyl orthoformate</traditional_iupac>
  <cas_registry_number>149-73-5</cas_registry_number>
  <smiles>COC(OC)OC</smiles>
  <inchi>InChI=1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3</inchi>
  <inchikey>PYOKUURKVVELLB-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Ortho esters</sub_class>
    <direct_parent>Ortho esters</direct_parent>
    <alternate_parents>
      <alternative_parent>Carboxylic acid orthoesters</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carboxylic acid orthoester</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Ortho ester</substituent>
      <substituent>Orthocarboxylic acid derivative</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>0.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.23</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.54</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.68e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.74</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>trimethoxymethane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>106.121</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>106.062994182</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC(OC)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H10O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PYOKUURKVVELLB-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>25.34</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>10.94</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>3</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/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721ec4b368&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>9005</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>8655</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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</compound>
