<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:09:15 UTC</creation_date>
  <update_date>2025-11-18 23:21:33 UTC</update_date>
  <accession>FDB010699</accession>
  <name>2,2-Bis[4-(2,3-epoxypropoxy)phenyl]propane</name>
  <description>Potential food contaminant arising from its use in epoxy resin coatings for cans, concrete vats and tanks, etc.</description>
  <synonyms>
    <synonym>2, 2-Bis(4-glycidyloxyphenyl)propane</synonym>
    <synonym>2, 2-Bis(4-hydroxyphenyl)propane diglycidyl ether</synonym>
    <synonym>2, 2-Bis(4'-glycidyloxyphenyl)propane</synonym>
    <synonym>2, 2-Bis(p-glycidyloxyphenyl)propane</synonym>
    <synonym>2, 2-Bis(p-hydroxyphenyl)propane diglycidyl ether</synonym>
    <synonym>2, 2-Bis(p-hydroxyphenyl)propane, diglycidyl ether</synonym>
    <synonym>2,2-[Bis(4-glycidyloxyphenyl)]propane</synonym>
    <synonym>2,2-Bis(4-(2,3-epoxypropoxy)phenyl)-propane</synonym>
    <synonym>2,2-bis(4-(2,3-epoxypropoxy)phenyl)propane</synonym>
    <synonym>2,2-Bis(4-(2,3-epoxypropyloxy)phenyl)propane</synonym>
    <synonym>2,2-Bis(4-glycidyloxyphenyl)propane</synonym>
    <synonym>2,2-Bis(4-hydroxyphenyl)propane diglycidyl ether</synonym>
    <synonym>2,2-Bis(4-hydroxyphenyl)propane, diglycidyl ether</synonym>
    <synonym>2,2-Bis(4'-glycidyloxyphenyl)propane</synonym>
    <synonym>2,2-Bis(P-(2,3-epoxypropoxy)phenyl)-propane</synonym>
    <synonym>2,2-Bis(p-(2,3-epoxypropoxy)phenyl)propane</synonym>
    <synonym>2,2-Bis(p-glycidyloxyphenyl)propane</synonym>
    <synonym>2,2-Bis(p-hydroxyphenyl)propane diglycidyl ether</synonym>
    <synonym>2,2-Bis(p-hydroxyphenyl)propane, diglycidyl ether</synonym>
    <synonym>2,2-Bis(phenyl-4-glycidoxy)propane</synonym>
    <synonym>2,2-Bis[(P-2,3-epoxypropoxy)phenyl]-propane</synonym>
    <synonym>2,2-Bis[4-(2,3-epoxypropoxy)phenyl]-propane</synonym>
    <synonym>2,2-Bis[4-(2,3-epoxypropyloxy)phenyl]propane</synonym>
    <synonym>2,2-Bis[4-(glycidyloxy)phenyl]propane</synonym>
    <synonym>2,2-Bis[P-(2,3-epoxypropoxy)phenyl]-propane</synonym>
    <synonym>2,2-Bis[p-(2,3-epoxypropoxy)phenyl]propane</synonym>
    <synonym>2,2'-[(1-Methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane, 9CI</synonym>
    <synonym>4, 4'-Dihydroxydiphenyldimethylmethane diglycidyl ether</synonym>
    <synonym>4, 4'-Isopropylidenediphenol diglycidyl ether</synonym>
    <synonym>4,4'-Bis(2, 3-epoxypropoxy)diphenyldimethylmethane</synonym>
    <synonym>4,4'-Bis(2,3-epoxypropoxy)diphenyldimethylmethane</synonym>
    <synonym>4,4'-Dihydroxydiphenyldimethylmethane diglycidyl ether</synonym>
    <synonym>4,4'-Isopropylidenebis(1-(2,3-epoxypropoxy)benzene)</synonym>
    <synonym>4,4'-Isopropylidenebis[1-(2,3-epoxypropoxy)benzene]</synonym>
    <synonym>4,4'-Isopropylidenediphenol diglycidyl ether</synonym>
    <synonym>Araldite GY 250</synonym>
    <synonym>BADGE</synonym>
    <synonym>Bis(4-glycidyloxyphenyl)dimethyamethane</synonym>
    <synonym>Bis(4-glycidyloxyphenyl)dimethylmethane</synonym>
    <synonym>Bis(4-hydroxyphenyl)dimethylmethane diglycidyl ether</synonym>
    <synonym>Bis[4-(2,3-epoxypropoxy)phenyl]propane</synonym>
    <synonym>Bisphenol A diglycidyl ether</synonym>
    <synonym>Bpdge</synonym>
    <synonym>DGEBA</synonym>
    <synonym>Dgebpa</synonym>
    <synonym>Dian diglycidyl ether</synonym>
    <synonym>Dian-bis-glycidylether</synonym>
    <synonym>Diglycidyl bisphenol a</synonym>
    <synonym>Diglycidyl bisphenol a ether</synonym>
    <synonym>Diglycidyl diphenylolpropane ether</synonym>
    <synonym>Diglycidyl ether of 2, 2-bis(4-hydroxyphenyl)propane</synonym>
    <synonym>Diglycidyl ether of 2, 2-bis(p-hydroxyphenyl)propane</synonym>
    <synonym>Diglycidyl ether of 2,2-bis(4-hydroxyphenyl)propane</synonym>
    <synonym>Diglycidyl ether of 2,2-bis(p-hydroxyphenyl)propane</synonym>
    <synonym>Diglycidyl ether of 4, 4'-isopropylidenediphenol</synonym>
    <synonym>Diglycidyl ether of 4,4'-isopropylidenediphenol</synonym>
    <synonym>Diglycidyl ether of bisphenol a</synonym>
    <synonym>Diomethane diglycidyl ether</synonym>
    <synonym>Epi-rez 508</synonym>
    <synonym>epi-Rez 510</synonym>
    <synonym>Epophen EL 5</synonym>
    <synonym>Epoxide a</synonym>
    <synonym>Isphenol a, diglycidyl ether</synonym>
    <synonym>Oligomer 340</synonym>
    <synonym>P,p'-dihydroxydiphenyldimethylmethane diglycidyl ether</synonym>
    <synonym>Propane, 2,2-bis (p-(2,3-epoxypropoxy)phenyl)</synonym>
    <synonym>Propane, 2,2-bis(4-(2,3-epoxypropoxy)phenyl)-</synonym>
    <synonym>Propane, 2,2-bis(p-(2,3-epoxypropoxy)phenyl)-</synonym>
    <synonym>Propane, 2,2-bis[(p-2,3-epoxypropoxy)phenyl]-</synonym>
    <synonym>Propane, 2,2-bis[4-(2,3-epoxypropoxy)phenyl]-</synonym>
    <synonym>Propane, 2,2-bis[p-(2,3-epoxypropoxy)phenyl]-</synonym>
  </synonyms>
  <chemical_formula>C21H24O4</chemical_formula>
  <average_molecular_weight>340.4129</average_molecular_weight>
  <monisotopic_moleculate_weight>340.167459256</monisotopic_moleculate_weight>
  <iupac_name>2-(4-{2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl}phenoxymethyl)oxirane</iupac_name>
  <traditional_iupac>bisphenol A diglycidyl ether</traditional_iupac>
  <cas_registry_number>1675-54-3</cas_registry_number>
  <smiles>CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1</smiles>
  <inchi>InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3</inchi>
  <inchikey>LCFVJGUPQDGYKZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.</description>
    <direct_parent>Diphenylmethanes</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Diphenylmethanes</sub_class>
    <molecular_framework>Aromatic heteromonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Alkyl aryl ethers</alternative_parent>
      <alternative_parent>Dialkyl ethers</alternative_parent>
      <alternative_parent>Epoxides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
      <alternative_parent>Phenol ethers</alternative_parent>
      <alternative_parent>Phenoxy compounds</alternative_parent>
      <alternative_parent>Phenylpropanes</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alkyl aryl ether</substituent>
      <substituent>Aromatic heteromonocyclic compound</substituent>
      <substituent>Dialkyl ether</substituent>
      <substituent>Diphenylmethane</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Oxirane</substituent>
      <substituent>Phenol ether</substituent>
      <substituent>Phenoxy compound</substituent>
      <substituent>Phenylpropane</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>diarylmethane</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>4.67</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-5.62</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>8.22e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 43°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>4.02</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-3.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>2-(4-{2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl}phenoxymethyl)oxirane</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>340.4129</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>340.167459256</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C21H24O4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>LCFVJGUPQDGYKZ-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>43.52</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>105.73</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>38.23</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>8</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>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>313753</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>313754</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>313755</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>359311</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>359312</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>359313</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2417905</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2417906</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2417907</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2548246</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2548247</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2548248</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>21467</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>157100</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB32737</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce309864e0&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
