Record Information
Version1.0
Creation date2010-04-08 22:10:37 UTC
Update date2018-05-29 01:04:13 UTC
Primary IDFDB013276
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAluminium sulfate
DescriptionIt is used in foods as a firming agent Aluminium sulfate, written as Al2(SO4)3 or Al2O12S3 Aluminium sulfate is an industrial chemical used as a flocculating agent in the purification of drinking water and waste water treatment plants, and also in paper manufacturing.; In construction industry it is used as waterproofing agent and accelerator in concrete. Another use is a foaming agent in fire fighting foam.
CAS Number10043-01-3
Structure
Thumb
Synonyms
SynonymSource
Al2(so4)3ChEBI
AlumChEBI
Aluminium sesquisulfateChEBI
Aluminium sulfate (2:3)ChEBI
Aluminium sulfate (anh.)ChEBI
Aluminium sulfate anhydrousChEBI
Aluminium(III) sulfateChEBI
Aluminum sulfateChEBI
Aluminum sulfate (2:3)ChEBI
Aluminum sulfate anhydrousChEBI
Aluminum(III) sulfateChEBI
Dialuminium trisulfateChEBI
Dialuminum trisulfateChEBI
Sulfatodialuminium disulfateChEBI
Sulfatodialuminum disulfateChEBI
Sulfuric acid, aluminium salt (3:2)ChEBI
Sulfuric acid, aluminum salt (3:2)ChEBI
Aluminium sulfuric acidGenerator
Aluminium sulphateGenerator
Aluminium sulphuric acidGenerator
Aluminium sesquisulfuric acidGenerator
Aluminium sesquisulphateGenerator
Aluminium sesquisulphuric acidGenerator
Aluminium sulfuric acid (2:3)Generator
Aluminium sulphate (2:3)Generator
Aluminium sulphuric acid (2:3)Generator
Aluminium sulfuric acid (anh.)Generator
Aluminium sulphate (anh.)Generator
Aluminium sulphuric acid (anh.)Generator
Aluminium sulfuric acid anhydrousGenerator
Aluminium sulphate anhydrousGenerator
Aluminium sulphuric acid anhydrousGenerator
Aluminium(III) sulfuric acidGenerator
Aluminium(III) sulphateGenerator
Aluminium(III) sulphuric acidGenerator
Aluminum sulfuric acidGenerator
Aluminum sulphateGenerator
Aluminum sulphuric acidGenerator
Aluminum sulfuric acid (2:3)Generator
Aluminum sulphate (2:3)Generator
Aluminum sulphuric acid (2:3)Generator
Aluminum sulfuric acid anhydrousGenerator
Aluminum sulphate anhydrousGenerator
Aluminum sulphuric acid anhydrousGenerator
Aluminum(III) sulfuric acidGenerator
Aluminum(III) sulphateGenerator
Aluminum(III) sulphuric acidGenerator
Dialuminium trisulfuric acidGenerator
Dialuminium trisulphateGenerator
Dialuminium trisulphuric acidGenerator
Dialuminum trisulfuric acidGenerator
Dialuminum trisulphateGenerator
Dialuminum trisulphuric acidGenerator
Sulfatodialuminium disulfuric acidGenerator
Sulphatodialuminium disulphateGenerator
Sulphatodialuminium disulphuric acidGenerator
Sulfatodialuminum disulfuric acidGenerator
Sulphatodialuminum disulphateGenerator
Sulphatodialuminum disulphuric acidGenerator
Sulfate, aluminium salt (3:2)Generator
Sulphate, aluminium salt (3:2)Generator
Sulphuric acid, aluminium salt (3:2)Generator
Sulfate, aluminum salt (3:2)Generator
Sulphate, aluminum salt (3:2)Generator
Sulphuric acid, aluminum salt (3:2)Generator
Aluminum sulfate (3:2)biospider
Aluminum trisulfatebiospider
Alunogenitedb_source
Dialuminum sulfatebiospider
E520db_source
Sulfuric acid aluminum(3+) salt (3:2)biospider
Sulfuric acid, aluminum potassium salt (2:1:1)biospider
Sulfuric acid, aluminum(3+) salt (3:2)biospider
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 FormulaAl2O12S3
IUPAC namedialuminium(3+) ion trisulfate
InChI IdentifierInChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
InChI KeyDIZPMCHEQGEION-UHFFFAOYSA-H
Isomeric SMILES[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O
Average Molecular Weight342.151
Monoisotopic Molecular Weight341.818264416
Classification
DescriptionThis compound belongs to the class of inorganic compounds 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.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassPost-transition metal oxoanionic compounds
Sub ClassPost-transition metal sulfates
Direct ParentPost-transition metal sulfates
Alternative Parents
Substituents
  • Post-transition metal sulfate
  • Inorganic post-transition metal salt
  • Inorganic oxide
  • Inorganic salt
  • Acyclic compound
Molecular FrameworkAcyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionAl 15.77%; O 56.11%; S 28.12%DFC
Melting Point770 °C (decomp, anhydrous) 86.5 °C (octadecahydrate)
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKa3.3-3.6
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, Positivesplash10-0002-0009000000-ac4e3d4b02133ae3ad7cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0009000000-ac4e3d4b02133ae3ad7cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-0009000000-ac4e3d4b02133ae3ad7cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0009000000-bdd76efeae52ab20e3a9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0009000000-bdd76efeae52ab20e3a9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-0009000000-bdd76efeae52ab20e3a9View in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24856
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34734
CRC / DFC (Dictionary of Food Compounds) IDHQR73-J:HQR73-J
EAFUS ID156
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1218971
SuperScent IDNot Available
Wikipedia IDAluminium_sulfate
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
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference