Record Information
Version1.0
Creation date2010-04-08 22:11:49 UTC
Update date2018-05-29 01:18:44 UTC
Primary IDFDB015402
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCalcium sulfate
DescriptionIt is used in foods as an anticaking agent, colouring adjunct, dough strengthener, drying agent, firming agent, formulation aid, leavening agent, nutrient supplement, pH control agent, processing aid, stabiliser, thickener, synergist and texturiser; also used as an additive in the bleaching of flour by benzoyl peroxide Calcium sulfate is a common component of fouling deposits in industrial heat exchangers. It is because its solubility decreases with increasing temperature in hot water (see the figure).; Calcium sulfate is a common laboratory and industrial chemical. In the form of ?-anhydrite (the nearly anhydrous form), it is used as a desiccant. It is also used as a coagulant in products like tofu. In the natural state, unrefined calcium sulfate is a translucent, crystalline white rock. When sold as a color-indicating variant under the name Drierite, it appears blue or pink due to impregnation with cobalt chloride, which functions as a moisture indicator. The hemihydrate (CaSO4.~0.5H2O) is better known as plaster of Paris, while the dihydrate (CaSO4.2H2O) occurs naturally as gypsum. The anhydrous form occurs naturally as ?-anhydrite. Depending on the method of calcination of calcium sulfate dihydrate, specific hemihydrates are sometimes distinguished: alpha-hemihydrate and beta-hemihydrate. They appear to differ only in crystal size. Alpha-hemihydrate crystals are more prismatic than beta-hemihydrate crystals and, when mixed with water, form a much stronger and harder superstructure.
CAS Number7778-18-9
Structure
Thumb
Synonyms
SynonymSource
Anhydrous gypsumChEBI
Calcium sulfate, anhydrousChEBI
Calcium sulphateChEBI
CaSO4ChEBI
KalziumsulfatChEBI
GypsumKegg
Calcium sulfuric acid, anhydrousGenerator
Calcium sulphate, anhydrousGenerator
Calcium sulphuric acid, anhydrousGenerator
Calcium sulfuric acidGenerator
Calcium sulphuric acidGenerator
KalziumsulphatGenerator
Anhydritebiospider
Anhydrous calcium sulfatebiospider
Anhydrous sulfate of limebiospider
Basic calcium sulfatebiospider
Calc Sulph Pwr 6xbiospider
Calc sulph schuessler cell salt homaccordbiospider
Calcarea Sulfurica 2ch-30chbiospider
Calcarea Sulph 6xbiospider
Calcarea sulphuricabiospider
Calcined gypsumdb_source
Calcium sulfate (1:1)biospider
Calcium sulfate (CaSO4)biospider
Calcium sulfate (NF)biospider
Calcium Sulfate Liquid (S#114)biospider
Calcium sulfuricumbiospider
Calcium Sulfuricum-Injeel Forte Liq (6d,12d,30d,200d/1.1ml)biospider
Calcium sulphate, naturalbiospider
Crysalbabiospider
Drieritebiospider
Drierite(r)biospider
E516db_source
Exsiccated gypsumbiospider
Exsiccated gypsum (JP15)biospider
Franklin Fiber H 45biospider
GIBSbiospider
Gypsum (JP15)biospider
Gypsum fibrosumbiospider
Gypsum fibrosum (TN)biospider
Karstenitebiospider
Muriacitebiospider
Natural anhydritebiospider
Oparex 10biospider
Osteosetbiospider
Pigment white 25biospider
Plaster of parisbiospider
Plaster of paris, anhydritebiospider
S3 Calcarea Sulphuricabiospider
Satin whitebiospider
SSS-abiospider
Sulfuric acid calcium salt, 8CIdb_source
Sulfuric acid, calcium saltbiospider
Sulfuric acid, calcium salt (1:1)biospider
Sulfuric acid, calcium salt (van)biospider
Surfuric acid calcium(2+) salt (1:1)biospider
Terra albabiospider
Thiolitebiospider
Predicted Properties
PropertyValueSource
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.53 m³·mol⁻¹ChemAxon
Polarizability5.81 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCaO4S
IUPAC namecalcium sulfate
InChI IdentifierInChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
InChI KeyOSGAYBCDTDRGGQ-UHFFFAOYSA-L
Isomeric SMILES[Ca++].[O-]S([O-])(=O)=O
Average Molecular Weight136.141
Monoisotopic Molecular Weight135.914320333
Classification
ClassificationNot classified
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionCa 29.44%; O 47.01%; S 23.55%DFC
Melting PointMp 1570°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 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 IDC13194
Pubchem Compound ID24497
Pubchem Substance IDNot Available
ChEBI ID31346
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBV93-P:KBV93-P
EAFUS ID487
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1098211
SuperScent IDNot Available
Wikipedia IDCalcium_sulfate
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