Calcium sulfate dihydrate (CED0000721)

Record Information
Version1.0
Creation Date2016-05-19 02:56:24 UTC
Update Date2026-04-16 20:50:44 UTC
Accession NumberCHEM008995
Identification
Common NameCalcium sulfate dihydrate
ClassSmall Molecule
Description
Calcium sulfate dihydrate (CaH4O6S) is an inorganic compound with an average molecular weight of 172.16 g/mol. Calcium sulfate dihydrate belongs to the alkaline earth metal sulfates, a subclass of alkaline earth metal oxoanionic compounds within the inorganic compounds. It is categorized as a mixed metal/non-metal compound. In industrial applications, the compound is utilized as a binder and a filler (PMC12029000). It is found in or released from 32 recorded sources. These sources include electrical and electronic equipment such as antennas, amplifiers, communication cables or conductors, electric hearing aids, and cores yokes or armatures. Within building and construction, it is present in floors, ceilings, roofs, fencing, and sunshades awnings or outside screens. In the sector of food, food processing and cookware, it is associated with the preparation of wort, the preparation of vinegar, fermentation processes for beer, and the processing of meats and fish. Additionally, it is found in household cleaning and consumer products, specifically in bleaching agents, tobacco pipes, cigar cigarettes, and other smoking requisites. It is also recorded as being present in household items such as watch chains.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
Calcium(II) sulfate, dihydrate (1:1:2)ChEBI
CaSO4.2H2OChEBI
Sulfuric acid, calcium salt (1:1), dihydrateChEBI
Sulfuric acid, calcium(2+) salt, dihydrateChEBI
Calcium(II) sulfuric acid, dihydric acid (1:1:2)Generator
Calcium(II) sulphate, dihydrate (1:1:2)Generator
Calcium(II) sulphuric acid, dihydric acid (1:1:2)Generator
Sulfate, calcium salt (1:1), dihydrateGenerator
Sulfuric acid, calcium salt (1:1), dihydric acidGenerator
Sulphate, calcium salt (1:1), dihydrateGenerator
Sulphuric acid, calcium salt (1:1), dihydric acidGenerator
Sulfate, calcium(2+) salt, dihydrateGenerator
Sulfuric acid, calcium(2+) salt, dihydric acidGenerator
Sulphate, calcium(2+) salt, dihydrateGenerator
Sulphuric acid, calcium(2+) salt, dihydric acidGenerator
Calcium sulfuric acid dihydric acidGenerator
Calcium sulphate dihydrateGenerator
Calcium sulphuric acid dihydric acidGenerator
Calcium sulfate (1:1), dihydrateMeSH
Calcium sulfate (2:1)MeSH
Stone, artificial dentalMeSH
Calcium sulfateMeSH
AlabasterMeSH
Calcium sulfate, hemihydrateMeSH
Calcium sulfate, anhydrousMeSH
Calcium sulphateMeSH
Dental gypsumMeSH
Plaster OF parisMeSH
Artificial dental stoneMeSH
Gypsum, dentalMeSH
KarsteniteMeSH
Anhydrous sulfate OF limeMeSH
Calcium sulfate, dihydrateMeSH
GypsumMeSH
GypsiteMeSH
Dental stone, artificialMeSH
Calcium sulfate (1:1), hemihydrateMeSH
DrieriteMeSH
Calcium;sulfuric acid;dihydric acidGenerator
Calcium;sulphate;dihydrateGenerator
Calcium;sulphuric acid;dihydric acidGenerator
PhosphogypsumMeSH
Chemical FormulaCaH4O6S
Average Molecular Mass172.160 g/mol
Monoisotopic Mass171.935 g/mol
CAS Registry Number10101-41-4
IUPAC Namecalcium dihydrate sulfate
Traditional Namecalcium dihydrate sulfate
SMILESO.O.[Ca++].[O-]S([O-])(=O)=O
InChI IdentifierInChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2
InChI KeyPASHVRUKOFIRIK-UHFFFAOYSA-L
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as alkaline earth metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkaline earth metal oxoanionic compounds
Sub ClassAlkaline earth metal sulfates
Direct ParentAlkaline earth metal sulfates
Alternative Parents
Substituents
  • Alkaline earth metal sulfate
  • Inorganic calcium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility51.3 g/LALOGPS
logP-0.1ALOGPS
logP-0.84ChemAxon
logS-0.57ALOGPS
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
233BrushesPersonal care & cosmeticsNot Available
495CeilingsBuilding & ConstructionNot Available
496FencingBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
499RoofsBuilding & ConstructionNot Available
501Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
502Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
566Tobacco PipesHousehold cleaning & consumer productsNot Available
577Watch ChainsHousehold itemsNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
597ChemosterilantsAgriculture & land managementNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)3967.43
Click to view 3D structureDelta carbonic anhydraseQ5U9J1Conticribra weissflogiiPredicted (SEA)503.217
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)1301.17
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)609.637
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)755.994
Click to view 3D structureCarbonic anhydrase, alpha familyQ31FD6Thiomicrospira crunogenaPredicted (SEA)609.715
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)3325.87
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)5108.47
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)3406.29
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)2231.55
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)2998.75
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)3025.53
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)180.999
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)180.999
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)1970.13
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)1557.92
Click to view 3D structureCarbonic anhydraseP40881Methanosarcina thermophilaPredicted (SEA)107.354
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)298.396
Dual specificity protein phosphatase 5 structureClick to view 3D structureDual specificity protein phosphatase 5Q16690HumansPredicted (SEA)10.3539
Click to view 3D structureCarbonic anhydraseP53615Saccharomyces cerevisiae S288cPredicted (SEA)353.202
Click to view 3D structureCarbonic anhydrase 2P00921Bos taurusPredicted (SEA)508.511
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)5581.79
Click to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)2069.08
Click to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)1617.32
Click to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)2112.05
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkGypsum
Chemspider IDNot Available
ChEBI ID32583
PubChem Compound ID24928
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References