<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 11:31:07 UTC</creation_date>
  <update_date>2026-08-23 22:42:48 UTC</update_date>
  <accession/>
  <common_name>Propane, 1,1,3,3-tetramethoxy-</common_name>
  <class>SmallMolecule</class>
  <description>Propane, 1,1,3,3-tetramethoxy- is an organic compound with the formula C7H16O4 and an average molecular weight of 164.20 g/mol. Propane, 1,1,3,3-tetramethoxy- belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This substance is identified as being found in or released from two recorded sources related to food, food processing, and cookware, specifically during the processing of meats and the preparation of vinegar.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1,1,3,3-tetramethoxy-propane</synonym>
    <synonym>1,1,3,3-Tetramethoxypropan</synonym>
    <synonym>1,1,3,3-Tetramethoxypropane</synonym>
    <synonym>1,1,3,3-Tetramethoxypropane [for Biochemical Research]</synonym>
    <synonym>102523</synonym>
    <synonym>1700020</synonym>
    <synonym>Jsp000291</synonym>
    <synonym>Malonaldehyde bis(dimethyl acetal)</synonym>
    <synonym>Malonaldehyde bis-(dimethyl acetal)</synonym>
    <synonym>Malonaldehyde tetramethyl acetal</synonym>
    <synonym>Malonaldehyde, bis(dimethyl acetal)</synonym>
    <synonym>Malonaldehydebis(dimethylacetal)</synonym>
    <synonym>Malondialdehyde bis(dimethyl acetal)</synonym>
    <synonym>Malondialdehyde bis(dimethylacetal)</synonym>
    <synonym>Propane, 1,1,3,3-tetramethoxy-</synonym>
    <synonym>SBB040826</synonym>
    <synonym>TETRAMETHOXYPROPANE</synonym>
    <synonym>TL8000126</synonym>
    <synonym>XHTYQFMRBQUCPX-UHFFFAOYSA-N</synonym>
    <synonym>[102-52-3]</synonym>
  </synonyms>
  <chemical_formula>C7H16O4</chemical_formula>
  <average_molecular_weight>164.201</average_molecular_weight>
  <monisotopic_moleculate_weight>164.104859</monisotopic_moleculate_weight>
  <iupac_name>1,1,3,3-tetramethoxypropane</iupac_name>
  <traditional_iupac>propane, 1,1,3,3-tetramethoxy-</traditional_iupac>
  <cas_registry_number>102-52-3</cas_registry_number>
  <smiles>COC(CC(OC)OC)OC</smiles>
  <inchi>InChI=1S/C7H16O4/c1-8-6(9-2)5-7(10-3)11-4/h6-7H,5H2,1-4H3</inchi>
  <inchikey>XHTYQFMRBQUCPX-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Ethers</sub_class>
    <direct_parent>Acetals</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Acetal</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon 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>0.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.21</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.42</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>6.28e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.36</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,1,3,3-tetramethoxypropane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>164.201</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>164.104859</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC(CC(OC)OC)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C7H16O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C7H16O4/c1-8-6(9-2)5-7(10-3)11-4/h6-7H,5H2,1-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XHTYQFMRBQUCPX-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>36.92</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>40.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>17.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</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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  <symptoms/>
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  <hmdb_id/>
  <pubchem_compound_id>66019</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>59410</chemspider_id>
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</compound>
