Record Information
Version1.0
Creation date2010-04-08 22:11:51 UTC
Update date2018-05-29 01:19:00 UTC
Primary IDFDB015443
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCalcium acetate
DescriptionIt 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.
CAS Number62-54-4
Structure
Thumb
Synonyms
SynonymSource
Acetate OF limeChEBI
Brown acetate OF limeChEBI
Ca(oac)2ChEBI
Calcium ethanoateChEBI
Calcium(II) acetateChEBI
Gray acetate OF limeChEBI
Lime acetateChEBI
Lime pyroligniteChEBI
PhosloKegg
Acetic acid OF limeGenerator
Brown acetic acid OF limeGenerator
Calcium ethanoic acidGenerator
Calcium(II) acetic acidGenerator
Gray acetic acid OF limeGenerator
Lime acetic acidGenerator
Calcium acetic acidGenerator
Acetic acid, calcium saltMeSH
Acetic acid, calcium salt (2:1)MeSH
Acetate of limebiospider
Acetic acid, calcium salt, 8CIdb_source
Brown acetatebiospider
Brown acetate of limebiospider
Calcarea aceticabiospider
Calcium acetate (usp)biospider
Calcium acetate [usan:jan]biospider
Calcium acetate hydratebiospider
Calcium acetate monohydratebiospider
Calcium acetate tallowatebiospider
Calcium acetateultra purebiospider
Calcium di(acetate)biospider
Calcium diacetatebiospider
Calcium, acetate hydrogenated tallow fatty acids complexesbiospider
E263db_source
Ethanoic acid, calcium saltdb_source
Gray acetatebiospider
Gray acetate of limebiospider
Grey acetatebiospider
Phoslo (TN)biospider
Procalaminebiospider
Pyrolignite of limebiospider
Sorbo-calcionbiospider
Teltozanbiospider
Vinegar saltsbiospider
Predicted Properties
PropertyValueSource
Water Solubility147 g/LALOGPS
logP0.24ALOGPS
logP-0.22ChemAxon
logS-0.03ALOGPS
pKa (Strongest Acidic)4.54ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity23.48 m³·mol⁻¹ChemAxon
Polarizability4.96 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC4H6CaO4
IUPAC namecalcium diacetate
InChI IdentifierInChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChI KeyVSGNNIFQASZAOI-UHFFFAOYSA-L
Isomeric SMILES[Ca++].CC([O-])=O.CC([O-])=O
Average Molecular Weight158.166
Monoisotopic Molecular Weight157.989199835
Classification
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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acids
Direct ParentCarboxylic acids
Alternative Parents
Substituents
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 30.38%; H 3.82%; Ca 25.34%; O 40.46%DFC
Melting Point160 °C (decomposition to acetone)
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID6116
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDDB00258
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKCB81-V:KCB81-V
EAFUS ID446
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1007931
SuperScent IDNot Available
Wikipedia IDCalcium_acetate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
mild
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
acetic
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference