Relevant Data

Food Additives Approved in the United States


General Information

Synonyms: CALCIUM DIOXIDE
Chemical Names: CALCIUM PEROXIDE; CALCIUM SUPEROXIDE
CAS number: 1305-79-9
INS:

930

Functional Class: Food Additives
FLOUR_TREATMENT_AGENT

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Evaluations

Evaluation year: 1965
Meeting: 09
Specs Code: N
Comments: CAUTION: POWERFUL OXIDIZING SUBSTANCE
Report: NMRS 40/TRS 339-JECFA 9/15
Tox Monograph: NOT PREPARED
Specification: FAS 67.29/NMRS 40A,B,C-JECFA 9/118; COMPENDIUM/321 (WITHDRAWN 2000)

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Computed Descriptors

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2D Structure
CID14779
IUPAC Namecalcium;peroxide
InChIInChI=1S/Ca.O2/c;1-2/q+2;-2
InChI KeyLHJQIRIGXXHNLA-UHFFFAOYSA-N
Canonical SMILES[O-][O-].[Ca+2]
Molecular FormulaCaO2
Wikipediacalcium peroxide

From Pubchem


Computed Properties

Property Name Property Value
Molecular Weight72.076
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Complexity2.8
CACTVS Substructure Key Fingerprint A A A D c Q A A M A A A A A g A A A A A A A A A E g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A B A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area46.1
Monoisotopic Mass71.952
Exact Mass71.952
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

From Pubchem


Taxonomic Classification

KingdomInorganic compounds
SuperclassMixed metal/non-metal compounds
ClassAlkaline earth metal organides
SubclassAlkaline earth metal oxides
Intermediate Tree NodesNot available
Direct ParentAlkaline earth metal oxides
Alternative Parents
Molecular FrameworkNot available
SubstituentsAlkaline earth metal oxide - Inorganic calcium salt - Inorganic oxide - Inorganic salt
DescriptionThis compound 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.

From ClassyFire