ContaminantDB: ALUMINUM POTASSIUM SULFATE

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

Record Information

Version

1.0

Creation Date

2016-05-19 01:53:42 UTC

Update Date

2016-11-09 01:09:24 UTC

Accession Number

CHEM004692

Identification

Common Name

ALUMINUM POTASSIUM SULFATE

Class

Small Molecule

Description

A hydrate resulting from the the formal combination of anhydrous potassium aluminium sulfate with 12 mol eq. of water.

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
AlK(so4)2.12H2O	ChEBI
Aluminum potassium disulfate dodecahydrate	ChEBI
Aluminum potassium sulfate dodecahydrate	ChEBI
Kalinite	ChEBI
Potash alum dodecahydrate	ChEBI
Potassium alum dodecahydrate	ChEBI
Potassium aluminum disulfate dodecahydrate	ChEBI
Aluminum potassium sulfate hydrate	Kegg
Aluminum potassium sulfate	Kegg
Aluminum potassium disulfuric acid dodecahydric acid	Generator
Aluminum potassium disulphate dodecahydrate	Generator
Aluminum potassium disulphuric acid dodecahydric acid	Generator
Aluminum potassium sulfuric acid dodecahydric acid	Generator
Aluminum potassium sulphate dodecahydrate	Generator
Aluminum potassium sulphuric acid dodecahydric acid	Generator
Potash alum dodecahydric acid	Generator
Potassium alum dodecahydric acid	Generator
Potassium aluminum disulfuric acid dodecahydric acid	Generator
Potassium aluminum disulphate dodecahydrate	Generator
Potassium aluminum disulphuric acid dodecahydric acid	Generator
Aluminum potassium sulfuric acid hydric acid	Generator
Aluminum potassium sulphate hydrate	Generator
Aluminum potassium sulphuric acid hydric acid	Generator
Aluminum potassium sulfuric acid	Generator
Aluminum potassium sulphate	Generator
Aluminum potassium sulphuric acid	Generator
Potassium aluminium sulfuric acid dodecahydric acid	Generator
Potassium aluminium sulphate dodecahydrate	Generator
Potassium aluminium sulphuric acid dodecahydric acid	Generator
Alum	MeSH
Alum, potassium	MeSH
Aluminium potassium sulfate 12-hydrate	MeSH
Aluminium potassium sulfate hydrate (1:1:2:12)	MeSH
Aluminum hydrogen sulfate	MeSH
Aluminum sulfate	MeSH
Potassium alum	MeSH
Potassium aluminum sulfate	MeSH

Chemical Formula

AlH₂₄KO₂₀S₂

Average Molecular Mass

474.388 g/mol

Monoisotopic Mass

473.975 g/mol

CAS Registry Number

7784-24-9

IUPAC Name

aluminium(3+) ion potassium dodecahydrate disulfate

Traditional Name

aluminium(3+) ion potassium dodecahydrate disulfate

SMILES

O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[K+].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

InChI Identifier

InChI=1S/Al.K.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;;2*(H2,1,2,3,4);12*1H2/q+3;+1;;;;;;;;;;;;;;/p-4

InChI Key

GNHOJBNSNUXZQA-UHFFFAOYSA-J

Chemical Taxonomy

Description

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.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Post-transition metal oxoanionic compounds

Sub Class

Post-transition metal sulfates

Direct Parent

Post-transition metal sulfates

Alternative Parents

Substituents

Post-transition metal sulfate
Inorganic post-transition metal salt
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

potassium salt (CHEBI:86465 )
hydrate (CHEBI:86465 )
metal sulfate (CHEBI:86465 )
aluminium salt (CHEBI:86465 )

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
logP	-0.84	ChemAxon
pKa (Strongest Acidic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	80.26 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	11.53 m³·mol⁻¹	ChemAxon
Polarizability	5.81 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

Not Available

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

HMDB0303578

FooDB ID

FDB016089

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

Chemspider ID

ChEBI ID

PubChem Compound ID

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

ALUMINUM POTASSIUM SULFATE (CHEM004692)

Structure for CHEM004692: ALUMINUM POTASSIUM SULFATE