<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-26 01:44:04 UTC</creation_date>
  <update_date>2026-05-14 19:52:25 UTC</update_date>
  <accession/>
  <common_name>Calcium oxide</common_name>
  <class>SmallMolecule</class>
  <description>Calcium oxide (CaO) is an inorganic compound with an average molecular weight of 56.08 g/mol. Calcium oxide belongs to the alkaline earth metal oxides, a subclass of alkaline earth metal organides within the inorganic compounds. It is classified as a mixed metal/non-metal compound.

Industrial roles and uses for this compound include its application as a pH regulating agent, stabilizing agent, binder, flux agent, filler, and as a degradant/impurity (PMC11278605). Additionally, it serves as a dehydrating agent (desiccant), catalyst, thickening agent, dye, anti-caking agent, activator, flavouring and nutrient, and as processing aids not otherwise specified (PMC8345525, PMC8353306).

Calcium oxide is found in or released from 51 recorded sources. These include household items such as coins and watch chains; building and construction materials including floors, ceilings, roofs, stairs and ramps, and fencing; and household cleaning and consumer products such as bleaching agents, cigar cigarettes, pipe accessories, other smoking requisites, and non electric simulated smoking devices. In the category of food, food processing and cookware, it is associated with agglomerated sugar products, the preparation of wine or sparkling wine, the preparation of vinegar, and fermentation processes for beer, molasses and treatment of molasses. Furthermore, it is present in electrical and electronic equipment, including amplifiers, antennas, coils, communication cables or conductors, and auxiliary devices. In the field of plastics, calcium oxide is used in polyurethane, polyvinyl chloride, polypropylene, low-density polyethylene, and high-density polyethylene.</description>
  <categories/>
  <types>
    <type>Human Neurotoxin</type>
  </types>
  <synonyms/>
  <chemical_formula>CaO</chemical_formula>
  <average_molecular_weight>56.077</average_molecular_weight>
  <monisotopic_moleculate_weight>55.957505777</monisotopic_moleculate_weight>
  <iupac_name>calcium oxidandiide</iupac_name>
  <traditional_iupac>calcium oxidandiide</traditional_iupac>
  <cas_registry_number>1305-78-8</cas_registry_number>
  <smiles>[O--].[Ca++]</smiles>
  <inchi>InChI=1S/Ca.O/q+2;-2</inchi>
  <inchikey>BRPQOXSCLDDYGP-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Alkaline earth metal organides</class>
    <sub_class>Alkaline earth metal oxides</sub_class>
    <direct_parent>Alkaline earth metal oxides</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic calcium salts</alternative_parent>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alkaline earth metal oxide</substituent>
      <substituent>Inorganic calcium salt</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
    </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>-0.85</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.65</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>15.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-1.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>calcium oxidandiide</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>56.077</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>55.957505777</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[O--].[Ca++]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CaO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/Ca.O/q+2;-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BRPQOXSCLDDYGP-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>13.11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>0.95</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</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:0x00007f726c5ad850&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB15648</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>14778</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets/>
</compound>
