Calcium bicarbonate

HCID 10176262

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3983-19-5
Standard SMILES: O=C([O-])O.O=C([O-])O.[Ca+2]
InChIKey: NKWPZUCBCARRDP-UHFFFAOYSA-L
Molecular formula: C2H2CaO6
Average molar mass: 162.11 g/mol
Monoisotopic mass: 161.9477286

Names & identifiers

Preferred name: Calcium bicarbonate
IUPAC: calcium hydrogen carbonate
English name: calcium bicarbonate
Molecular formula: CH4CaO3
Molecular weight: 104.12

Names & synonyms

Calcium bicarbonate3983-19-5Calcium hydrogen carbonate7PRA4BLM2LDTXSID50893964Carbonic acid, calcium salt (2:1)RefChem:122767DTXCID001324003Carbonic acid, calciumsalt (2:1) (8CI,9CI)calcium;hydrogen carbonateUNII-7PRA4BLM2LCalcium carbonate (Ca(HCO3)2)

Show more names

Heavy calcium carbonatecalcium bis(hydrogencarbonate)CALCIUMHYDROGENCARBONATEcalcium bicarbonate USP/EP/BPBis(carbonic acid hydrogen)calcium salt

NKWPZUCBCARRDP-UHFFFAOYSA-Lcalcium hydrogencarbonatecalcium dihydrogen carbonateSCHEMBL35983Calcium bis(hydrogen carbonate)CALCIUM HYDROGENCARBONATE [WHO-DD]Q415144

Database identifiers

CAS: 3983-19-5
PubChem CID: 10176262
DTXSID: DTXSID50893964
UNII: 7PRA4BLM2L
EC Number: 807-673-7

Properties

Computed structural properties

Topological polar surface area: 121 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 24

Physicochemical properties

InChI: InChI=1S/CH2O3.Ca.2H/c2-1(3)4;;;/h(H2,2,3,4);;;
InChIKey: DFRDXBRVQSUDPD-UHFFFAOYSA-N
SMILES: C(O)(O)=O.[Ca]
FDA UNII: 7 PRA4BLM2L · 7PRA4BLM2L
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards SummaryNo ADI ( Acceptable Daily Intake) allocated; [JECFA] See Sodium bicarbonate.

Hazard Classes and CategoriesNot Classified

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

UsesUsed as surface colorant, anti-caking agent, and stabilizer for foods; [JECFA]

Use ClassificationFood Additives -> ANTICAKING_AGENT; COLOUR; STABILIZER -> JECFA Functional Classes

Applications

UsesIt can be used as calcium fortifier, emulsion stabilizer, dough conditioner, nutritional supplement, buffer, bulking agent, surface improver, emulsifier, curing agent, antioxidant synergist, and stabilizer.