Record Information
Version1.0
Creation date2010-04-08 22:11:49 UTC
Update date2018-05-29 01:18:45 UTC
Primary IDFDB015404
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCalcium chloride (CaCl2)
DescriptionIt is used as a postharvest dip to reduce decay in apples and berries. Added to food as an anticaking agent, curing or pickling agent, firming agent, flavour enhancer, antimrobial, humectant, nutrient supplement, pH control agent, processing aid, stabiliser and thickener, surface active agent, synergist or texturiser
CAS Number10043-52-4
Structure
Thumb
Synonyms
SynonymSource
[CaCl2]ChEBI
CaCl2ChEBI
Calcium chloride anhydrousChEBI
Chloride, calciumMeSH
Calcium chloride, anhydrousMeSH
Dihydrate, calcium chlorideMeSH
Chloride dihydrate, calciumMeSH
Calcium chloride dihydrateMeSH
Anhydrous calcium chloridebiospider
Bovikalcbiospider
Calcium chloridedb_source
Calcium chloride (anhydrous)biospider
Calcium chloride pelletsbiospider
Calcium dichloridedb_source
Calcium(2+) chloridebiospider
Calcosanbiospider
Calmate rbiospider
Calolbiospider
Caloridebiospider
Calplusbiospider
Caltacbiospider
Calzina oralbiospider
Chip calcium chloridebiospider
Chrysoxel C 4biospider
Daraccelbiospider
Dowflakebiospider
E509db_source
Homberg's phosphorusbiospider
Huppert's reagentbiospider
Hydrochloric acid calcium salt (2:1)biospider
Ice meltbiospider
Intergravin-oralesbiospider
Jarcalbiospider
Liquicalbiospider
Liquid calcium chloridebiospider
Liquidowbiospider
Marley cement acceleratorbiospider
Peladowbiospider
Snomeltbiospider
Stopitbiospider
Superflake anhydrousbiospider
Sure-stepbiospider
U-ramin MCbiospider
Unichem calchlorbiospider
Uramine MCbiospider
Predicted Properties
PropertyValueSource
logP-0.57ChemAxon
pKa (Strongest Acidic)-7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCaCl2
IUPAC namecalcium dichloride
InChI IdentifierInChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
InChI KeyUXVMQQNJUSDDNG-UHFFFAOYSA-L
Isomeric SMILES[Cl-].[Cl-].[Ca++]
Average Molecular Weight110.984
Monoisotopic Molecular Weight109.900296569
Classification
Description belongs to the class of inorganic compounds known as alkaline earth metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkaline earth metal salts
Sub ClassAlkaline earth metal chlorides
Direct ParentAlkaline earth metal chlorides
Alternative Parents
Substituents
  • Alkaline earth metal chloride
  • Inorganic calcium salt
  • Inorganic chloride salt
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionCa 36.11%; Cl 63.89%DFC
Melting PointMp 782°DFC
Boiling PointBp 1600°DFC
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 ID24854
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBW96-X:KBW96-X
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