Record Information
Version1.0
Creation date2010-04-08 22:11:49 UTC
Update date2019-11-26 03:11:33 UTC
Primary IDFDB015401
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCalcium oxide
DescriptionCalcium oxide, also known as lime, belongs to the class of inorganic compounds known as alkaline earth metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkaline earth metal. Calcium oxide is an extremely weak basic (essentially neutral) compound (based on its pKa). Calcium oxide is an odorless tasting compound. Calcium oxide is found, on average, in the highest concentration within a few different foods, such as common hazelnuts, cottonseeds, and coconuts and in a lower concentration in calabash. This could make calcium oxide a potential biomarker for the consumption of these foods.
CAS Number1305-78-8
Structure
Thumb
Synonyms
SynonymSource
LimeKegg
Aetzkalkbiospider
Airlockbiospider
Bell CML(e)biospider
Bell CML(p)biospider
Branntkalkbiospider
Burnt limedb_source
Calciadb_source
Calcia (cao)biospider
Calcium monoxidedb_source
Calcium oxidedb_source
Calcium oxide (JP15)biospider
Calcium oxide [UN1910] [Corrosive]biospider
Caloxal cpabiospider
Caloxol CP2biospider
Caloxol W3biospider
Calxdb_source
Calx ustabiospider
Calxylbiospider
CAObiospider
Chaux vivebiospider
Desical pbiospider
Dynacalbiospider
E529db_source
Fused calcium oxidebiospider
Gebrannter kalkbiospider
Kalziumoxidbiospider
KM pebble limebiospider
LIMEbiospider
Lime (usp)biospider
Lime, burnedbiospider
Lime, unslakedbiospider
Oxyde de calciumbiospider
QC-xbiospider
Quick limebiospider
Quicklimedb_source
Rhenosorb cbiospider
Rhenosorb fbiospider
Unslaked limedb_source
Vesta PPbiospider
Wapniowy tlenekbiospider
Predicted Properties
PropertyValueSource
logP-0.65ChemAxon
pKa (Strongest Acidic)15.7ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.11 m³·mol⁻¹ChemAxon
Polarizability0.95 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCaO
IUPAC namecalcium oxidandiide
InChI IdentifierInChI=1S/Ca.O/q+2;-2
InChI KeyBRPQOXSCLDDYGP-UHFFFAOYSA-N
Isomeric SMILES[O--].[Ca++]
Average Molecular Weight56.077
Monoisotopic Molecular Weight55.957505777
Classification
Description belongs to the class of inorganic compounds known as alkaline earth metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkaline earth metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkaline earth metal organides
Sub ClassAlkaline earth metal oxides
Direct ParentAlkaline earth metal oxides
Alternative Parents
Substituents
  • Alkaline earth metal oxide
  • Inorganic calcium salt
  • Inorganic oxide
  • Inorganic 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 71.47%; O 28.53%DFC
Melting PointMp 2927°DFC
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 IDC13140
Pubchem Compound ID14778
Pubchem Substance IDNot Available
ChEBI ID31344
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBV91-N:KBV91-N
EAFUS ID471
Dr. Duke IDCALCIUM-OXIDE
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1098151
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— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).