<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:11:51 UTC</creation_date>
  <update_date>2025-11-19 00:55:11 UTC</update_date>
  <accession>FDB015443</accession>
  <name>Calcium acetate</name>
  <description>It is used in foods as a firming agent, acidity regulator, sequestrant, stabiliser and thickener, and nutrient supplement (Ca source). It is used as an acidifier/preservative in bread, and in some gelling mixtures

Calcium acetate is a food additive, mainly in candy products.; Calclacite is a name for calcium acetate chloride pentahydrate, which is treated as mineral species but possess anthropogenic origin.; Patients with advanced renal insufficiency (creatinine clearance less than 30 ml/min) exhibit phosphate retention and some degree of hyperphosphatemia. The retention of phosphate plays a pivotal role in causing secondary hyperparathyroidism associated with osteodystrophy, and soft-tissue calcification. The mechanism by which phosphate retention leads to hyperparathyroidism is not clearly delineated. Therapeutic efforts directed toward the control of hyperphosphatemia include reduction in the dietary intake of phosphate, inhibition of absorption of phosphate in the intestine with phosphate binders, and removal of phosphate from the body by more efficient methods of dialysis. The rate of removal of phosphate by dietary manipulation or by dialysis is insufficient. Dialysis patients absorb 40% to 80% of dietary phosphorus. Therefore, the fraction of dietary phosphate absorbed from the diet needs to be reduced by using phosphate binders in most renal failure patients on maintenance dialysis. Calcium acetate when taken with meals combines with dietary phosphate to form insoluble calcium phosphate which is excreted in the feces. Maintenance of serum phosphorus below 6.0 mg/dl is generally considered as a clinically acceptable outcome of treatment with phosphate binders. Calcium acetate is highly soluble at neutral pH, making the calcium readily available for binding to phosphate in the proximal small intestine.</description>
  <synonyms>
    <synonym>Acetate of lime</synonym>
    <synonym>Acetic acid, calcium salt</synonym>
    <synonym>Acetic acid, calcium salt (2:1)</synonym>
    <synonym>Acetic acid, calcium salt, 8CI</synonym>
    <synonym>Brown acetate</synonym>
    <synonym>Brown acetate of lime</synonym>
    <synonym>Calcarea acetica</synonym>
    <synonym>Calcium acetate (usp)</synonym>
    <synonym>Calcium acetate [usan:jan]</synonym>
    <synonym>Calcium acetate hydrate</synonym>
    <synonym>Calcium acetate monohydrate</synonym>
    <synonym>Calcium acetate tallowate</synonym>
    <synonym>Calcium acetateultra pure</synonym>
    <synonym>Calcium di(acetate)</synonym>
    <synonym>Calcium diacetate</synonym>
    <synonym>Calcium, acetate hydrogenated tallow fatty acids complexes</synonym>
    <synonym>E263</synonym>
    <synonym>Ethanoic acid, calcium salt</synonym>
    <synonym>Gray acetate</synonym>
    <synonym>Gray acetate of lime</synonym>
    <synonym>Grey acetate</synonym>
    <synonym>Lime acetate</synonym>
    <synonym>Lime pyrolignite</synonym>
    <synonym>Phoslo</synonym>
    <synonym>Phoslo (TN)</synonym>
    <synonym>Procalamine</synonym>
    <synonym>Pyrolignite of lime</synonym>
    <synonym>Sorbo-calcion</synonym>
    <synonym>Teltozan</synonym>
    <synonym>Vinegar salts</synonym>
  </synonyms>
  <chemical_formula>C4H6CaO4</chemical_formula>
  <average_molecular_weight>158.166</average_molecular_weight>
  <monisotopic_moleculate_weight>157.989199835</monisotopic_moleculate_weight>
  <iupac_name>calcium diacetate</iupac_name>
  <traditional_iupac>calcium diacetate</traditional_iupac>
  <cas_registry_number>62-54-4</cas_registry_number>
  <smiles>[Ca++].CC([O-])=O.CC([O-])=O</smiles>
  <inchi>InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2</inchi>
  <inchikey>VSGNNIFQASZAOI-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.</description>
    <direct_parent>Carboxylic acids</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Carboxylic acids</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Carbonyl compounds</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_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organooxygen compound</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>calcium salt</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.24</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.03</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.47e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>160 °C (decomposition to acetone)</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-0.22</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>4.54</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>calcium diacetate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>158.166</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>157.989199835</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Ca++].CC([O-])=O.CC([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C4H6CaO4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>VSGNNIFQASZAOI-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>23.48</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>4.96</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>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
    <flavor>
      <name>acetic</name>
    </flavor>
    <flavor>
      <name>mild</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
