Record Information
Version1.0
Creation date2010-04-08 22:11:50 UTC
Update date2018-05-29 01:18:54 UTC
Primary IDFDB015431
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCalcium hydroxide (Ca(OH)2)
DescriptionIt is used in foods as a buffer and firming agent
CAS Number1305-62-0
Structure
Thumb
Synonyms
SynonymSource
Ca(OH)2ChEBI
Calcium hydrateChEBI
Calcium hydroxideChEBI
Geloeschter kalkChEBI
HydralimeChEBI
Hydrated limeChEBI
KalziumhydroxidChEBI
LoeschkalkChEBI
Slaked limeChEBI
Calcium hydric acidGenerator
CarboxideMeSH
Cyclohexamethylene carbamideMeSH
DihexamethylenecarbamideMeSH
Bell minebiospider
Biocalcbiospider
Calbitbiospider
Calcium dihydroxidebiospider
Calcium hydroxide (JP15/USP)biospider
Calcium hydroxide slurrybiospider
CALCIUM ION, 2 WATERS COORDINATEDbiospider
Caldic 1000biospider
Calkylbiospider
Calkyl (TN)biospider
Calvitbiospider
E526db_source
Edelwitbiospider
Kalkhydratebiospider
Kemikalbiospider
Kentoku K 100biospider
Limbuxbiospider
Lime hydratebiospider
Lime milkbiospider
Lime waterdb_source
Milk of limebiospider
Red hot pelletsbiospider
Rhenofit CFbiospider
Super microstarbiospider
Trulimebiospider
Yukijirushisakanyobiospider
Predicted Properties
PropertyValueSource
logP-0.57ChemAxon
pKa (Strongest Acidic)15.7ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
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 FormulaCaH2O2
IUPAC namecalcium dihydroxide
InChI IdentifierInChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2
InChI KeyAXCZMVOFGPJBDE-UHFFFAOYSA-L
Isomeric SMILES[OH-].[OH-].[Ca++]
Average Molecular Weight74.093
Monoisotopic Molecular Weight73.968070463
Classification
DescriptionThis compound belongs to the class of chemical entities known as alkaline earth metal hydroxides. These are inorganic compounds in which the largest oxoanion is hydroxide, 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 hydroxides
Alternative Parents
Substituents
  • Alkaline earth metal hydroxide
  • Inorganic calcium salt
  • Inorganic hydride
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionCa 54.09%; H 2.72%; O 43.19%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 IDC12277
Pubchem Compound ID14777
Pubchem Substance IDNot Available
ChEBI ID31341
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBZ28-T:KBZ28-T
EAFUS ID462
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1098101
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.
bitter
  1. Ayana Wiener, Marina Shudler, Anat Levit, Masha Y. Niv. BitterDB: a database of bitter compounds. Nucleic Acids Res 2012, 40(Database issue):D413-419. DOI:10.1093/nar/gkr755
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference