Record Information
Version1.0
Creation date2010-04-08 22:11:50 UTC
Update date2018-05-29 01:18:57 UTC
Primary IDFDB015437
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCalcium carbonate
DescriptionIt is used in foods as a neutraliser and leavening agent Calcination of limestone using charcoal fires to produce quicklime has been practiced since antiquity by cultures all over the world. The temperature at which limestone yields calcium oxide is usually given as 825 °C, but stating an absolute threshold is misleading. Calcium carbonate exists in equilibrium with calcium oxide and carbon dioxide at any temperature. At each temperature there is a partial pressure of carbon dioxide that is in equilibrium with calcium carbonate. At room temperature the equilibrium overwhelmingly favors calcium carbonate, because the equilibrium CO2 pressure is only a tiny fraction of the partial CO2 pressure in air, which is about 0.035 kPa.; Calcium carbonate is a chemical compound with the chemical formula CaCO3. It is a common substance found in rock in all parts of the world, and is the main component of shells of marine organisms, snails, pearls, and eggshells. Calcium carbonate is the active ingredient in agricultural lime, and is usually the principal cause of hard water. It is commonly used medicinally as a calcium supplement or as an antacid, but high consumption can be hazardous.; Calcium carbonate is also one of the main sources used in growing Seacrete, or Biorock.; Calcium carbonate is used in the production of toothpaste and is also used in homeopathy as one of the constitutional remedies.; Fine ground calcium carbonate is an essential ingredient in the microporous film used in babies' diapers and some building films as the pores are nucleated around the calcium carbonate particles during the manufacture of the film by biaxial stretching.; We see that for the same total acid concentration, the initial pH of the weak acid is less acid than the one of the strong acid; however, the maximum amount of CaCO3 which can be dissolved is approximately the same. This is because in the final state, the pH is larger that the pKA, so that the weak acid is almost completely dissociated, yielding in the end as many H+ ions as the strong acid to "dissolve" the calcium carbonate.
CAS Number471-34-1
Structure
Thumb
Synonyms
SynonymSource
CaCO3ChEBI
Calcium carbonate (1:1)ChEBI
CalciumcarbonatChEBI
Carbonate de calciumChEBI
carbonato De calcioChEBI
Carbonic acid calcium salt (1:1)ChEBI
e 170ChEBI
KalziumkarbonatChEBI
Kohlensaurer kalkChEBI
Precipitated calcium carbonateChEBI
Calcium carbonic acidGenerator
Calcium carbonic acid (1:1)Generator
Carbonic acid de calciumGenerator
Carbonate calcium salt (1:1)Generator
Precipitated calcium carbonic acidGenerator
CalciteMeSH
VateriteMeSH
AragoniteMeSH
Calcium milkMeSH
ChalkMeSH
LimestoneMeSH
Carbonate, calciumMeSH
MarbleMeSH
Milk OF calciumMeSH
Calc Carb Pwr 6xbiospider
Calcaera Carbonica 3ch-30chbiospider
Calcium Carbonate Cap 500mgbiospider
Calmicidbiospider
Carbonic acid, calcium salt, 8CIdb_source
E170db_source
Tums extra strength smoothiesbiospider
Tums ultra strengthbiospider
Predicted Properties
PropertyValueSource
Water Solubility128 g/LALOGPS
logP0.47ALOGPS
logP0.25ChemAxon
logS-0.08ALOGPS
pKa (Strongest Acidic)6.05ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area63.19 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity31.17 m³·mol⁻¹ChemAxon
Polarizability3.52 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCCaO3
IUPAC namecalcium carbonate
InChI IdentifierInChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
InChI KeyVTYYLEPIZMXCLO-UHFFFAOYSA-L
Isomeric SMILES[Ca++].[O-]C([O-])=O
Average Molecular Weight100.087
Monoisotopic Molecular Weight99.947335021
Classification
DescriptionThis compound belongs to the class of chemical entities known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic acids and derivatives
Sub ClassOrganic carbonic acids and derivatives
Direct ParentOrganic carbonic acids
Alternative Parents
Substituents
  • Carbonate salt
  • Carbonic acid
  • Organic calcium salt
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 12.00%; Ca 40.04%; O 47.96%DFC
Melting PointMp 1339° (at 1.35 atm)DFC
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
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-155f3b1435b7efbb0e7bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot AvailableView in JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC08129
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBZ53-X:KBZ53-X
EAFUS ID452
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1098041
SuperScent IDNot Available
Wikipedia IDCalcium_carbonate
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
odorless
  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