Record Information
Version1.0
Creation date2010-04-08 22:10:38 UTC
Update date2015-07-20 22:57:44 UTC
Primary IDFDB013295
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAluminium hydroxide
DescriptionUsed in foods as a buffer, neutralising agent or firming agent Aluminium hydroxide is an intermediate product in the Bayer process. In this process, bauxite is dissolved in hot sodium hydroxide solution, and insolubilities are filtered off. On cooling, aluminium hydroxide precipitates. The aluminium hydroxide is further calcined to give alumina, which may be smelted in the Hall-Héroult process in order to produce aluminium.
CAS Number21645-51-2
Structure
Thumb
Synonyms
SynonymSource
aluminium(3+) hydroxidebiospider
Aluminium(III) hydroxidebiospider
Aluminum hydroxidebiospider
Aluminum hydroxide (Al(OH)3)biospider
Aluminum hydroxide (usp)biospider
Aluminum hydroxide hydratebiospider
Aluminum trihydroxidebiospider
Aluminum(III) hydroxidebiospider
Di-mu-hydroxytetrahydroxydialuminumbiospider
Trihydroxidoaluminiumbiospider
Trihydroxyaluminumbiospider
Predicted Properties
PropertyValueSource
logP1.45ChemAxon
pKa (Strongest Acidic)15.7ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaAlH3O3
IUPAC namealuminium(3+) ion trihydroxide
InChI IdentifierInChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3
InChI KeyInChIKey=WNROFYMDJYEPJX-UHFFFAOYSA-K
Isomeric SMILES[OH-].[OH-].[OH-].[Al+3]
Average Molecular Weight78
Monoisotopic Molecular Weight78
Classification
DescriptionThis compound belongs to the class of chemical entities known as post-transition metal hydroxides. These are inorganic compounds in which the largest oxoanion is hydroxide, 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 hydroxides
Alternative Parents
Substituents
  • Post-transition metal hydroxide
  • Inorganic post-transition metal salt
  • Inorganic hydride
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionAl 34.59%; H 3.88%; O 61.53%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, Positivesplash10-001i-9000000000-3146d15da26093605563View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-3146d15da26093605563View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-3146d15da26093605563View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-de37575f12031f9841bfView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-de37575f12031f9841bfView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-de37575f12031f9841bfView in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC13391
Pubchem Compound ID6328211
Pubchem Substance IDNot Available
ChEBI ID33130
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHRS97-F:HRS97-F
EAFUS ID146
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDAluminium_hydroxide
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