Record Information
Version1.0
Creation date2010-04-08 22:12:08 UTC
Update date2015-07-20 23:23:42 UTC
Primary IDFDB015940
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAmmonium bicarbonate
DescriptionUsed in foods as an alkali, dough strengthener, leavening agent, pH control agent and texturizer Ammonium bicarbonate is an irritant to the skin, eyes and respiratory system. Ammonium bicarbonate from China used to make cookies was found to be contaminated with melamine, and imports banned in Malaysia in the 2008 Chinese milk scandal.; At room temperature, ammonium bicarbonate is a white, crystalline powder with a slight odour of ammonia that can dissolve in water to give a mildly alkaline solution. It is however insoluble in acetone and alcohols. Ammonium bicarbonate decomposes at 36 to 60 °C into ammonia, carbon dioxide and water vapor in an endothermic process (as it is with many ammonium salts) and so causes a drop in the temperature of the water. When reacted with acids, carbon dioxide is produced, while reactions with alkalis give ammonia.
CAS Number1066-33-7
Structure
Thumb
Synonyms
SynonymSource
Ammonium bicarbonatedb_source
Ammonium hydrogen carbonatedb_source
E503(ii)db_source
Predicted Properties
PropertyValueSource
Water Solubility732 g/LALOGPS
logP-0.2ALOGPS
logP0.25ChemAxon
logS0.97ALOGPS
pKa (Strongest Acidic)6.05ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area60.36 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity20.34 m³·mol⁻¹ChemAxon
Polarizability3.86 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaCH5NO3
IUPAC nameammonium hydrogen carbonate
InChI IdentifierInChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3
InChI KeyInChIKey=ATRRKUHOCOJYRX-UHFFFAOYSA-N
Isomeric SMILES[NH4+].OC([O-])=O
Average Molecular Weight79
Monoisotopic Molecular Weight79
Classification
DescriptionThis compound belongs to the class of organic compounds known as quaternary ammonium salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl group.
KingdomOrganic compounds
Super ClassOrganonitrogen compounds
ClassQuaternary ammonium salts
Sub ClassNot Available
Direct ParentQuaternary ammonium salts
Alternative Parents
Substituents
  • Quaternary ammonium salt
  • Carbonic acid derivative
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Amine
  • Organic zwitterion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 15.19%; H 6.37%; N 17.72%; O 60.71%DFC
Melting PointMp 107.5° (very rapid heating)DFC
Boiling PointNot Available
Experimental Water Solubility174 mg/mL at 20 oCMERCK INDEX (1996)
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-9000000000-7bcae8ba844605dffff6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-0bc594e5c7815f9d020fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-0bc594e5c7815f9d020fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-0bc594e5c7815f9d020fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-c5d2ee2cc8169a8cfaa8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-c5d2ee2cc8169a8cfaa8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-c5d2ee2cc8169a8cfaa8View in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB36969
CRC / DFC (Dictionary of Food Compounds) IDJDN60-S:KKS21-O
EAFUS ID172
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1097681
SuperScent IDNot Available
Wikipedia IDAmmonium_bicarbonate
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
mild
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
ammoniacal
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference