Record Information
Version1.0
Creation date2010-04-08 22:10:53 UTC
Update date2015-07-20 23:01:57 UTC
Primary IDFDB013734
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCalcium metasilicate
Descriptiondicalcium silicate belongs to the class of inorganic compounds 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. Based on a literature review a significant number of articles have been published on dicalcium silicate.
CAS Number1344-95-2
Structure
Thumb
Synonyms
SynonymSource
Dicalcium silicic acidGenerator
Dicalcium orthosilicic acidGenerator
C.I. Pigment White 28db_source
Calcium hydrosilicatebiospider
Calcium metasilicatedb_source
Calcium monosilicatebiospider
Calcium polysilicatebiospider
Calcium silicate (CaSiO3)db_source
Calcium silicate (NF)biospider
Calcium silicate, syntheticbiospider
Calcium silicate, synthetic nonfibrousbiospider
Calflo ebiospider
Calsilbiospider
CS lafargebiospider
Florite rbiospider
Marimet 45biospider
Micro-celbiospider
Micro-cel abiospider
Micro-cel bbiospider
Micro-cel cbiospider
Micro-cel ebiospider
Micro-cel tbiospider
Micro-cel T26biospider
Micro-cel T38biospider
Micro-cel T41biospider
Microcal 160biospider
Microcal etbiospider
Promaxon P60biospider
Silene efbiospider
Silicic acid calcium salt, 12CIdb_source
Silicic acid, calcium saltbiospider
Silmos tbiospider
Solexbiospider
Stabinex NW 7PSbiospider
Starlex lbiospider
Toyofine abiospider
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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
Description Belongs to the class of inorganic compounds 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.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkaline earth metal oxoanionic compounds
Sub ClassAlkaline earth metal silicates
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
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionCa 34.50%; O 41.32%; Si 24.18%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
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID14941
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDJGM62-K:JGM62-K
EAFUS ID483
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1227011
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
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