<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:12:53 UTC</creation_date>
  <update_date>2026-05-14 19:40:20 UTC</update_date>
  <accession/>
  <common_name>MAGNESIUM STEARATE</common_name>
  <class>SmallMolecule</class>
  <description>MAGNESIUM STEARATE (C36H70MgO4) is a chemical compound used across various industrial applications. MAGNESIUM STEARATE belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 591.24 g/mol, MAGNESIUM STEARATE is a heavy molecule.

In industrial settings, the compound serves a wide array of roles, including use as a surfactant, dye, humectant, filler, and anti-caking agent. It is further utilized as a binder, lubricating agent, flavouring and nutrient, and anti-adhesive/cohesive agent. Additional functions include acting as a heat stabilizer, dispersing agent, anti-static agent, waterproofing agent, pH regulating agent, drier, and as processing aids not otherwise specified.

MAGNESIUM STEARATE is found in or released from 31 recorded sources. Within electrical and electronic equipment, it is associated with antennas, amplifiers, communication cables or conductors, cores yokes or armatures, and conductors or conductive bodies characterised by the conductive materials, among 10 other items. In the category of food, food processing and cookware, it is found in food preservation, agglomerated sugar products, fermentation processes for beer, and the preparation of vinegar, wine, or sparkling wine, among 2 other sources. Household cleaning and consumer products include soap detergents, perfumes within detergents and soaps, bleaching agents, tobacco pipes, and cigar cigarettes, among 2 others. In building and construction, it is found in fencing and ceilings. Furthermore, the compound is used in plastics such as acrylonitrile butadiene styrene, polyvinyl chloride, and polystyrene.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Magnesium octadecanoate</synonym>
  </synonyms>
  <chemical_formula>C36H70MgO4</chemical_formula>
  <average_molecular_weight>591.244</average_molecular_weight>
  <monisotopic_moleculate_weight>590.512452626</monisotopic_moleculate_weight>
  <iupac_name>magnesium(2+) ion dioctadecanoate</iupac_name>
  <traditional_iupac>magnesium(2+) ion bis(n-octadecanoate)</traditional_iupac>
  <cas_registry_number>557-04-0</cas_registry_number>
  <smiles>[Mg++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O</smiles>
  <inchi>InChI=1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2</inchi>
  <inchikey>HQKMJHAJHXVSDF-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Fatty Acyls</class>
    <sub_class>Fatty acids and conjugates</sub_class>
    <direct_parent>Long-chain fatty acids</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acid salts</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic salts</alternative_parent>
      <alternative_parent>Straight chain fatty acids</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid salt</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Long-chain fatty acid</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Straight chain fatty acid</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors>
      <descriptor>magnesium salt</descriptor>
    </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>7.15</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>10.89</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-7.72</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.13e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>7.15</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>4.95</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>magnesium(2+) ion dioctadecanoate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>591.244</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>590.512452626</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Mg++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C36H70MgO4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>HQKMJHAJHXVSDF-UHFFFAOYSA-L</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>40.13</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>97.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>38.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>32</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>-1</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:0x00007f727b77ef80&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB14077</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>11177</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
