Record Information
Version1.0
Creation Date2016-05-19 01:56:40 UTC
Update Date2016-11-09 01:09:27 UTC
Accession NumberCHEM004954
Identification
Common NameCALCIUM LACTATE
ClassSmall Molecule
DescriptionCalcium lactate is a salt that consists of two lactate anions for each calcium cation (Ca2+). It is prepared commercially by the neutralization of lactic acid with calcium carbonate or calcium hydroxide. Approved by the FDA as a direct food substance affirmed as generally recognized as safe, calcium lactate is used as a firming agent, flavoring agent, leavening agent, stabilizer, and thickener . Calcium lactate is also found in daily dietary supplements as a source of calcium. It is also available in various hydrate forms, where calcium lactate pentahydrate is the most common.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Calcium lactic acidGenerator
Prequist powderChEMBL
Calcium;2-hydroxypropanoic acidGenerator
Ca lactateMeSH
Calcium lactateMeSH
Calcium bis(2-hydroxypropanoic acid)Generator
Chemical FormulaC6H10CaO6
Average Molecular Mass218.218 g/mol
Monoisotopic Mass218.010 g/mol
CAS Registry Number814-80-2
IUPAC Namecalcium bis(2-hydroxypropanoate)
Traditional Namecalcium dilactate
SMILES[Ca++].CC(O)C([O-])=O.CC(O)C([O-])=O
InChI IdentifierInChI=1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2
InChI KeyMKJXYGKVIBWPFZ-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentCarboxylic acid salts
Alternative Parents
Substituents
  • Secondary alcohol
  • Carboxylic acid salt
  • Organic calcium salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organic zwitterion
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility191 g/LALOGPS
logP-0.36ALOGPS
logP-0.47ChemAxon
logS-0.06ALOGPS
pKa (Strongest Acidic)3.78ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area60.36 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity29.68 m³·mol⁻¹ChemAxon
Polarizability7.65 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB13231
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 LinkCalcium lactate
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID13144
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available