ContaminantDB: Aluminium sulfate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (3)XML

Record Information

Version

1.0

Creation Date

2009-06-19 21:58:54 UTC

Update Date

2026-05-14 19:08:03 UTC

Accession Number

CHEM001293

Identification

Common Name

Aluminium sulfate

Class

Small Molecule

Description

Aluminium sulfate 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.
Aluminium sulfate belongs to the family of 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-transitional metal.

Contaminant Sources

Clean Air Act Chemicals
EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals
T3DB toxins

Contaminant Type

Aluminum Compound
Food Toxin
Household Toxin
Industrial/Workplace Toxin
Inorganic Compound
Metabolite
Natural Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Al2(so4)3	ChEBI
Alum	ChEBI
Aluminium sesquisulfate	ChEBI
Aluminium sulfate (2:3)	ChEBI
Aluminium sulfate (anh.)	ChEBI
Aluminium sulfate anhydrous	ChEBI
Aluminium(III) sulfate	ChEBI
Aluminum sulfate (2:3)	ChEBI
Aluminum sulfate anhydrous	ChEBI
Aluminum(III) sulfate	ChEBI
Dialuminium trisulfate	ChEBI
Dialuminum trisulfate	ChEBI
Sulfatodialuminium disulfate	ChEBI
Sulfatodialuminum disulfate	ChEBI
Sulfuric acid, aluminium salt (3:2)	ChEBI
Sulfuric acid, aluminum salt (3:2)	ChEBI
Stingose	Kegg
Aluminium sesquisulfuric acid	Generator
Aluminium sesquisulphate	Generator
Aluminium sesquisulphuric acid	Generator
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 anhydrous	Generator
Aluminium sulphate anhydrous	Generator
Aluminium sulphuric acid anhydrous	Generator
Aluminium(III) sulfuric acid	Generator
Aluminium(III) sulphate	Generator
Aluminium(III) sulphuric acid	Generator
Aluminum sulfuric acid (2:3)	Generator
Aluminum sulphate (2:3)	Generator
Aluminum sulphuric acid (2:3)	Generator
Aluminum sulfuric acid anhydrous	Generator
Aluminum sulphate anhydrous	Generator
Aluminum sulphuric acid anhydrous	Generator
Aluminum(III) sulfuric acid	Generator
Aluminum(III) sulphate	Generator
Aluminum(III) sulphuric acid	Generator
Dialuminium trisulfuric acid	Generator
Dialuminium trisulphate	Generator
Dialuminium trisulphuric acid	Generator
Dialuminum trisulfuric acid	Generator
Dialuminum trisulphate	Generator
Dialuminum trisulphuric acid	Generator
Sulfatodialuminium disulfuric acid	Generator
Sulphatodialuminium disulphate	Generator
Sulphatodialuminium disulphuric acid	Generator
Sulfatodialuminum disulfuric acid	Generator
Sulphatodialuminum disulphate	Generator
Sulphatodialuminum disulphuric acid	Generator
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 sulfuric acid	Generator
Aluminum sulphate	Generator
Aluminum sulphuric acid	Generator
Potassium alum	MeSH
Aluminum potassium disulfate dodecahydrate	MeSH
Alum, potassium	MeSH
Aluminum hydrogen sulfate	MeSH
Aluminum potassium sulfate dodecahydrate	MeSH
Aluminium potassium sulfate 12-hydrate	MeSH
Aluminium potassium sulfate hydrate (1:1:2:12)	MeSH
Aluminum potassium sulfate	MeSH
Potassium aluminum sulfate	MeSH
Aluminum sulfate	ChEBI
Aluminium sulfuric acid	Generator
Aluminium sulphate	Generator
Aluminium sulphuric acid	Generator

Chemical Formula

Al₂O₁₂S₃

Average Molecular Mass

342.151 g/mol

Monoisotopic Mass

341.818 g/mol

CAS Registry Number

10043-01-3

IUPAC Name

dialuminium(3+) trisulfate

Traditional Name

dialuminium(3+) ion trisulfate

SMILES

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

InChI Identifier

InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6

InChI Key

DIZPMCHEQGEION-UHFFFAOYSA-H

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

aluminium sulfate (CHEBI:74768 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cell surface
Cytoplasm
Cytosol
Endoplasmic reticulum
Extracellular
Extracellular matrix
Golgi apparatus

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB Link	KEGG Link
Apoptosis	Not Available	map04210

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White crystals.

Experimental Properties

Property	Value
Melting Point	770°C (decomp, anhydrous); 86.5°C (octadecahydrate)
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

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-0009000000-ac4e3d4b02133ae3ad7c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-0009000000-ac4e3d4b02133ae3ad7c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-0009000000-ac4e3d4b02133ae3ad7c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0009000000-bdd76efeae52ab20e3a9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-0009000000-bdd76efeae52ab20e3a9	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0002-0009000000-bdd76efeae52ab20e3a9	Spectrum

Toxicity Profile

Route of Exposure

Oral (7) ; inhalation (7)

Mechanism of Toxicity

The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer (1), but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer (4). Certain aluminum salts induce immune responses by activating inflammasomes. (7, 1, 2)

Metabolism

Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (7)

Toxicity Values

LD50: 980 mg/kg (Oral, Mouse) (2) LD50: 40 mg/kg (Intraperitoneal, Mouse) (3)

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not listed by IARC. IARC classified aluminum production as carcinogenic to humans (Group 1), but did not implicate aluminum itself as a human carcinogen. (6) A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed (1), but studies have not been able to establish a clear link (4).

Uses/Sources

Aluminium sulfate is an industrial chemical used as a flocculating agent in the purification of drinking water, in waste water treatment plants, and also in paper manufacturing. (9)

Minimum Risk Level

Intermediate Oral: 1.0 mg/kg/day (5) Chronic Oral: 1.0 mg/kg/day (5)

Health Effects

Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (7, 8)

Symptoms

Inhalating aluminum dust causes coughing and abnormal chest X-rays. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (7, 8)

Treatment

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Concentrations

Not Available

External Links

DrugBank ID

DB11239

HMDB ID

HMDB0034734

FooDB ID

FDB013276

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

Aluminium sulfate

Chemspider ID

Not Available

ChEBI ID

74768

PubChem Compound ID

24850

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

Aluminium sulfate (CHEM001293)

Structure for CHEM001293: Aluminium sulfate