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Showing Compound Ammonium bicarbonate (FDB015940)

Record Information
Version1.0
Creation date2010-04-08 22:12:08 UTC
Update date2018-05-29 01:23:34 UTC
Primary IDFDB015940
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAmmonium bicarbonate
DescriptionIt is used 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
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
Ammonium bicarbonic acidGenerator
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaCH5NO3
IUPAC nameammonium hydrogen carbonate
InChI IdentifierInChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3
InChI KeyATRRKUHOCOJYRX-UHFFFAOYSA-N
Isomeric SMILES[NH4+].OC([O-])=O
Average Molecular Weight79.0553
Monoisotopic Molecular Weight79.026943031
Classification
Description Belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassOrganic carbonic acids
Direct ParentOrganic carbonic acids
Alternative Parents
Substituents
  • Carbonate salt
  • Carbonic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties
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
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSAmmonium bicarbonate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-004i-9000000000-7bcae8ba844605dffff6Spectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-0bc594e5c7815f9d020f2016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-0bc594e5c7815f9d020f2016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-0bc594e5c7815f9d020f2016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-c5d2ee2cc8169a8cfaa82016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-c5d2ee2cc8169a8cfaa82016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-c5d2ee2cc8169a8cfaa82016-08-03View Spectrum
NMRNot Available
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
Food Biomarker OntologyNot Available
VMH 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