ContaminantDB: Ammonium bicarbonate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:41:17 UTC

Update Date

2016-11-09 01:09:19 UTC

Accession Number

CHEM004327

Identification

Common Name

Ammonium bicarbonate

Class

Small Molecule

Description

It 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.

Contaminant Sources

Clean Air Act Chemicals
EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals
OECD HPV Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ammonium bicarbonic acid	Generator

Chemical Formula

CH₅NO₃

Average Molecular Mass

79.055 g/mol

Monoisotopic Mass

79.027 g/mol

CAS Registry Number

1066-33-7

IUPAC Name

ammonium hydrogen carbonate

Traditional Name

ammonium bicarbonate

SMILES

[NH4+].OC([O-])=O

InChI Identifier

InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3

InChI Key

ATRRKUHOCOJYRX-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic carbonic acids and derivatives

Sub Class

Organic carbonic acids

Direct Parent

Organic 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 Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	732 g/L	ALOGPS
logP	-0.2	ALOGPS
logP	0.25	ChemAxon
logS	0.97	ALOGPS
pKa (Strongest Acidic)	6.05	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	60.36 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	20.34 m³·mol⁻¹	ChemAxon
Polarizability	3.86 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-004i-9000000000-7bcae8ba844605dffff6	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-0bc594e5c7815f9d020f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-0bc594e5c7815f9d020f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-0bc594e5c7815f9d020f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-c5d2ee2cc8169a8cfaa8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-c5d2ee2cc8169a8cfaa8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-c5d2ee2cc8169a8cfaa8	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0036969

FooDB ID

FDB015940

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Ammonium bicarbonate

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

14013

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Ammonium bicarbonate (CHEM004327)

Structure for CHEM004327: Ammonium bicarbonate