Record Information
Version1.0
Creation date2010-04-08 22:10:39 UTC
Update date2015-07-20 22:57:57 UTC
Primary IDFDB013328
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameDicalcium orthosilicate
DescriptionAnticaking agent
CAS Number10034-77-2
Structure
Thumb
Synonyms
SynonymSource
Belitedb_source
Calcium silicatedb_source
Dicalcium orthosilicatedb_source
Dicalcium silicatebiospider
E552db_source
Silicic acid (H4SiO4), calcium salt (1:2)biospider
Predicted Properties
PropertyValueSource
logP-2.6ChemAxon
pKa (Strongest Acidic)9.82ChemAxon
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area92.24 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.77 m³·mol⁻¹ChemAxon
Polarizability5.14 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCa2O4Si
IUPAC namedicalcium silicate
InChI IdentifierInChI=1S/2Ca.O4Si/c;;1-5(2,3)4/q2*+2;-4
InChI KeyJHLNERQLKQQLRZ-UHFFFAOYSA-N
Isomeric SMILES[Ca++].[Ca++].[O-][Si]([O-])([O-])[O-]
Average Molecular Weight172.239
Monoisotopic Molecular Weight171.881767331
Classification
DescriptionThis compound belongs to the class of chemical entities known as alkaline earth metal silicates. These are inorganic compounds in which the largest oxoanion is silicate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
KingdomChemical entities
Super ClassInorganic compounds
ClassMixed metal/non-metal compounds
Sub ClassAlkaline earth metal oxoanionic compounds
Direct ParentAlkaline earth metal silicates
Alternative Parents
Substituents
  • Silicate
  • Alkaline earth metal silicate
  • Inorganic calcium salt
  • Inorganic oxide
  • Inorganic salt
  • Inorganic metalloid salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionCa 46.54%; O 37.16%; Si 16.31%DFC
Melting PointNot Available
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
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID6335617
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHSV48-N:HSV48-N
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
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
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference