| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-25 23:27:28 UTC |
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| Update Date | 2016-11-09 01:18:23 UTC |
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| Accession Number | CHEM027040 |
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| Identification |
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| Common Name | Ammonium alum |
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| Class | Small Molecule |
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| Description | It is used 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. 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. Potassium alum is also used for this purpose. |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Aluminum ammonium sulfate (3:1:3) | MeSH | | Aluminum ammonium sulfate | MeSH | | Aluminum ammonium sulfate (2:1:1) dodecahydrate | MeSH | | Aluminum sulfate ammonium salt | MeSH |
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| Chemical Formula | AlH28NO20S2 |
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| Average Molecular Mass | 453.329 g/mol |
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| Monoisotopic Mass | 453.046 g/mol |
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| CAS Registry Number | 7784-26-1 |
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| IUPAC Name | aluminium(3+) ion ammonium dodecahydrate disulfate |
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| Traditional Name | aluminium(3+) ion ammonium dodecahydrate disulfate |
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| 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 |
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| InChI Identifier | InChI=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 |
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| InChI Key | WZUKKIPWIPZMAS-UHFFFAOYSA-K |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Inorganic compounds |
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| Super Class | Mixed metal/non-metal compounds |
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| Class | Post-transition metal oxoanionic compounds |
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| Sub Class | Post-transition metal sulfates |
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| Direct Parent | Post-transition metal sulfates |
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| Alternative Parents | |
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| Substituents | - Post-transition metal sulfate
- Inorganic post-transition metal salt
- Inorganic oxide
- Inorganic salt
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0000900000-f72cbb72b481171cf831 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-0000900000-f72cbb72b481171cf831 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-0000900000-f72cbb72b481171cf831 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0000900000-4bcf09608e8742594697 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-0000900000-4bcf09608e8742594697 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-0000900000-4bcf09608e8742594697 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0032701 |
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| FooDB ID | FDB010659 |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Ammonium aluminium sulfate |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 62668 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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