<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:53:53 UTC</creation_date>
  <update_date>2026-08-19 12:42:44 UTC</update_date>
  <accession/>
  <common_name>2-Propenoic acid, (1-methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)] ester</common_name>
  <class>SmallMolecule</class>
  <description>2-Propenoic acid, (1-methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)] ester is an organic compound with the formula C15H24O6 and an average molecular weight of 300.35 g/mol. 2-Propenoic acid, (1-methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)] ester belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

In industrial applications, this compound serves several roles, including use as a plasticizer, softener, conditioner, diluent, and as a monomer. It has been identified in seven recorded sources. These sources include household items such as coins, as well as drinking water and water supply systems. It is also found in food contact materials and food processing equipment, and within electrical and electronic equipment, specifically in magnets, communication cables or conductors, antennas, and gas filled discharge tubes with solid cathode. Recorded routes of exposure for this substance include oral intake, inhalation, and touch.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(1-methyl-1,2-ethanediyl)bis[oxy(methyl-2,1-ethanediyl)] diacrylate</synonym>
    <synonym>1-[(1-{[1-(prop-2-enoyloxy)propan-2-yl]oxy}propan-2-yl)oxy]propan-2-yl prop-2-enoate</synonym>
    <synonym>Tripropylene glycol diacrylate</synonym>
  </synonyms>
  <chemical_formula>C15H24O6</chemical_formula>
  <average_molecular_weight>300.351</average_molecular_weight>
  <monisotopic_moleculate_weight>300.157288493</monisotopic_moleculate_weight>
  <iupac_name>1-[(1-{[1-(prop-2-enoyloxy)propan-2-yl]oxy}propan-2-yl)oxy]propan-2-yl prop-2-enoate</iupac_name>
  <traditional_iupac>tripropylene glycol diacrylate</traditional_iupac>
  <cas_registry_number>42978-66-5</cas_registry_number>
  <smiles>CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C</smiles>
  <inchi>InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3</inchi>
  <inchikey>LJRSZGKUUZPHEB-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>2.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.27</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.09</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.46e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.81</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-3.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1-[(1-{[1-(prop-2-enoyloxy)propan-2-yl]oxy}propan-2-yl)oxy]propan-2-yl prop-2-enoate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>300.351</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>300.157288493</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C15H24O6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LJRSZGKUUZPHEB-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>71.06</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>77.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>31.88</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>13</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/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225f24d80&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>4128060</pubchem_compound_id>
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</compound>
