Record Information
Version1.0
Creation date2010-04-08 22:11:51 UTC
Update date2018-01-23 19:40:48 UTC
Primary IDFDB015444
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameIodic acid calcium salt
DescriptionFood additive used to enhance poultry and egg production. Oxidiser in bread manuf. Iodic acid calcium salt is found in cereals and cereal products, fruits, and potato.
CAS Number7789-80-2
Structure
Thumb
Synonyms
SynonymSource
Autaritebiospider
Calcium iodatedb_source
Calcium iodate (Ca(IO3)2)biospider
Iodic acid (HIO3), calcium saltbiospider
Iodic acid (HIO3), calcium salt (2:1)biospider
Iodic acid calcium salt, 8CIdb_source
Iodic acid, calcium saltbiospider
Lautaritedb_source
Predicted Properties
PropertyValueSource
logP0.18ChemAxon
pKa (Strongest Acidic)-33ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area57.2 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity17.67 m³·mol⁻¹ChemAxon
Polarizability7.85 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCaI2O6
IUPAC namecalcium diiodate
InChI IdentifierInChI=1S/Ca.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2
InChI KeyUHWJJLGTKIWIJO-UHFFFAOYSA-L
Isomeric SMILES[Ca++].[O-][I](=O)=O.[O-][I](=O)=O
Average Molecular Weight389.883
Monoisotopic Molecular Weight389.741015727
Classification
DescriptionThis compound belongs to the class of chemical entities known as alkaline earth metal iodates. These are inorganic compounds in which the largest oxoanion is iodate, 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 iodates
Alternative Parents
Substituents
  • Alkaline earth metal iodate
  • Inorganic calcium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionCa 10.28%; I 65.10%; O 24.62%DFC
Melting Point540 oC
Boiling PointNot Available
Experimental Water Solubility0.2 mg/mL at 15 oCWEAST,RC (1979)
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 ID24619
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKCC25-M:KCC25-M
EAFUS ID464
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1098121
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