Record Information
Version1.0
Creation date2010-04-08 22:09:14 UTC
Update date2015-07-20 22:34:35 UTC
Primary IDFDB010659
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAmmonium alum
DescriptionUsed in foods as a buffer and neutralizing agent Ammonium alum (NH4Al(SO4)2·12H2O) or ammonium aluminium sulfate dodecahydrate is a white crystalline double sulfate of aluminium, used in water purification, in vegetable glues, in porcelain cements, in natural deodorants and in tanning, dyeing and in fireproofing textiles.; The pH of the solution resulting from the topical application of ammonium alum with perspiration is typically in the slightly acid range, from 4 to 5. It is a popular deodorant because of its high availability and low cost[citation needed]. A 120 gram stone lasts for at least a year of daily usage - much longer than other deodorants and antiperspirants. It is also hypoallergenic and non-staining[citation needed]. Potassium alum is also used for this purpose.
CAS Number7784-26-1
Structure
Thumb
Synonyms
SynonymSource
Alum, ammoniumbiospider
Alum, ammonium (usp)biospider
Aluminum ammonium bis(sulfate) dodecahydratebiospider
Aluminum ammonium disulfate dodecahydratebiospider
Aluminum ammonium sulfatebiospider
Aluminum ammonium sulfate (1:1:2) dodecahydratebiospider
Aluminum ammonium sulfate (Al(NH4)(SO4)2) dodecahydratebiospider
Aluminum ammonium sulfate dodecahydratebiospider
Ammonia alumbiospider
Ammonium alumdb_source
Ammonium alum (NH4Al(SO4)2.12H2O)biospider
Ammonium aluminum disulfate dodecahydratebiospider
Ammonium aluminum sulfate dodecahydratebiospider
Ammonium aluminum sulfate hydratebiospider
Monoaluminum monoammonium disulfate dodecahydratebiospider
Predicted Properties
PropertyValueSource
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.53 m³·mol⁻¹ChemAxon
Polarizability5.81 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaAlH28NO20S2
IUPAC namealuminium(3+) ion ammonium dodecahydrate disulfate
InChI IdentifierInChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3
InChI KeyInChIKey=WZUKKIPWIPZMAS-UHFFFAOYSA-K
Isomeric SMILES[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O
Average Molecular Weight453
Monoisotopic Molecular Weight453
Classification
DescriptionThis compound belongs to the class of chemical entities known as post-transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a post-transition metal.
KingdomChemical entities
Super ClassInorganic compounds
ClassMixed metal/non-metal compounds
Sub ClassPost-transition metal oxoanionic compounds
Direct ParentPost-transition metal sulfates
Alternative Parents
Substituents
  • Post-transition metal sulfate
  • Inorganic post-transition metal salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionAl 5.95%; H 6.23%; N 3.09%; O 70.59%; S 14.15%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
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 LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0000900000-f72cbb72b481171cf831View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-0000900000-f72cbb72b481171cf831View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-0000900000-f72cbb72b481171cf831View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0000900000-4bcf09608e8742594697View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0000900000-4bcf09608e8742594697View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0000900000-4bcf09608e8742594697View in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID62668
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB32701
CRC / DFC (Dictionary of Food Compounds) IDFDO72-K:FLR79-K
EAFUS ID142
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDAmmonium_alum
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
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference