<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:01:03 UTC</creation_date>
  <update_date>2026-08-22 18:13:58 UTC</update_date>
  <accession/>
  <common_name>Propylene Carbonate</common_name>
  <class>SmallMolecule</class>
  <description>Propylene Carbonate (C4H6O3) is an organic compound with an average molecular weight of 102.09 g/mol. Propylene Carbonate belongs to the carbonic acid diesters, a subclass of organic carbonic acids and derivatives within the organic compounds.

This compound serves several industrial roles and uses, acting as a solvent (PMC10370462), a viscosity modifier, a fragrance, and a catalyst. In biological contexts, it functions as a Lewis base (PMC6355927). Propylene Carbonate is found in or released from 41 recorded sources. These include electrical and electronic equipment, such as antennas, amplifiers, coils, auxiliary devices, and communication cables or conductors, among 19 others. It is present in household cleaning and consumer products, including bleaching agents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices, among three others. Within the category of food, food processing and cookware, it is associated with food preservation, food contact materials, the treatment of hops, and fermentation processes for beer. Additionally, it is found in building and construction materials like fencing, ceilings, and tents or canopies, as well as in household items such as coins and in drinking water and water supply. Recorded exposure routes for the compound include oral, inhalation, and touch. Regarding its presence in plastics, results are inconclusive in polyurethane.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Cyclic propylene carbonate</synonym>
  </synonyms>
  <chemical_formula>C4H6O3</chemical_formula>
  <average_molecular_weight>102.089</average_molecular_weight>
  <monisotopic_moleculate_weight>102.031694053</monisotopic_moleculate_weight>
  <iupac_name>(4R)-4-methyl-1,3-dioxolan-2-one</iupac_name>
  <traditional_iupac>(4R)-4-methyl-1,3-dioxolan-2-one</traditional_iupac>
  <cas_registry_number>108-32-7</cas_registry_number>
  <smiles>[H][C@@]1(C)COC(=O)O1</smiles>
  <inchi>InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m1/s1</inchi>
  <inchikey>RUOJZAUFBMNUDX-GSVOUGTGSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Organic carbonic acids and derivatives</class>
    <sub_class>Carbonic acid diesters</sub_class>
    <direct_parent>Carbonic acid diesters</direct_parent>
    <alternate_parents>
      <alternative_parent>1,3-dioxolanes</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic heteromonocyclic compound</substituent>
      <substituent>Carbonic acid diester</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Meta-dioxolane</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Oxacycle</substituent>
    </substituents>
    <molecular_framework>Aliphatic heteromonocyclic 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>-0.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.13</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>0.52</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.38e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>0.79</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-5.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>(4R)-4-methyl-1,3-dioxolan-2-one</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>102.089</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>102.031694053</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@@]1(C)COC(=O)O1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H6O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RUOJZAUFBMNUDX-GSVOUGTGSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>35.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>21.49</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>9.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</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:0x00007f3bafac4e40&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>7924</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>7636</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
