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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 01:32:30 UTC
Update Date2021-09-24 01:32:30 UTC
HMDB IDHMDB0303391
Secondary Accession NumbersNone
Metabolite Identification
Common NameBentonite
DescriptionIt is used in foods as a colourant, pigment and stabiliser↵↵Also known as potash bentonite or K-bentonite, potassium bentonite is a potassium rich illitic clay formed from alteration of volcanic ash.; Bentonite is an absorbent aluminium phyllosilicate, generally impure clay consisting mostly of montmorillonite. There are a few types of bentonites and their names depend on the dominant elements, such as K, Na, Ca, and Al. As noted in several places in the geologic literature, there are some nomenclatorial problems with the classification of bentonite clays. Bentonite usually forms from weathering of volcanic ash, most often in the presence of water. However, the term bentonite, as well as a similar clay called tonstein, have been used for clay beds of uncertain origin. For industrial purposes, two main classes of bentonite exist: sodium and calcium bentonite. In stratigraphy and tephrochronology, completely devitrified (weathered volcanic glass) ash-fall beds are commonly referred to as K-bentonites when the dominant clay species is illite. Other common clay species, and sometimes dominant, are montmorillinite and kaolinite. Kaolinite dominated clays are commonly referred to as tonsteins and are typically associated with coal.; Bentoquatam protects the skin like a shield against poison ivy, poison oak, and poison sumac by physically blocking skin contact with their resin. The best protection against getting these conditions is to avoid contact with these plants. This medicine does not dry oozing and weeping caused by the rash of poison ivy, poison oak, or poison sumac.; Calcium bentonite is a useful adsorbent of ions in solution. as well as fats and oils, being a main active ingredient of Fuller's Earth, probably one of the earliest industrial cleaning agents. Calcium bentonite may be converted to sodium bentonite (termed sodium beneficiation or sodium activation) to exhibit many of sodium bentonite's properties by a process known as "ion exchange" (patented in 1935 by Germans U Hofmann and K Endell). Commonly this means adding 5-10% of a soluble sodium salt such as sodium carbonate to wet bentonite, mixing well, and allowing time for the ion exchange to take place and water to remove the exchanged calcium.[citation needed] Some properties, such as viscosity and fluid loss of suspensions, of sodium beneficiated calcium bentonite (or sodium activated bentonite) may not be fully equivalent to natural sodium bentonite. For example, residual calcium carbonates (formed if exchanged cations are insufficiently removed) may result in inferior performance of the bentonite in geosynthetic liners; Much of bentonite's usefulness in the drilling and geotechnical engineering industry comes from its unique rheological properties. Relatively small quantities of bentonite suspended in water form a viscous, shear thinning material. Most often, bentonite suspensions are also thixotropic, although rare cases of rheopectic behavior have also been reported. At high enough concentrations (~60 grams of bentonite per litre of suspension), bentonite suspensions begin to take on the characteristics of a gel (a fluid with a minimum yield strength required to make it move). For these reasons it is a common component of drilling mud used to curtail drilling fluid invasion by its propensity for aiding in the formation of mud cake.; Pascalite is a commercial name for the calcium bentonite clay. Bentonite is found in wild celery.
Structure
Thumb
Synonyms
ValueSource
Alumane hydric acid magnesium silane sodiumGenerator
Chemical FormulaAlH7MgNaOSi
Average Molecular Weight125.416
Monoisotopic Molecular Weight124.9829659
IUPAC Namealumane hydrate magnesium silane sodium hydrogen
Traditional Namealumane hydrate magnesium silane sodium hydrogen
CAS Registry NumberNot Available
SMILES
[H].O.[Na].[Mg].[Al].[SiH4]
InChI Identifier
InChI=1S/Al.Mg.Na.H2O.H4Si.H/h;;;1H2;1H4;
InChI KeyRGZWSXRRNVDTEQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as post-transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a post-transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassPost-transition metal organides
Sub ClassPost-transition metal oxides
Direct ParentPost-transition metal oxides
Alternative Parents
Substituents
  • Post-transition metal oxide
  • Inorganic oxide
  • Inorganic salt
  • Inorganic metalloid salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability0.52 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+143.45832859911
AllCCS[M+H-H2O]+140.04732859911
AllCCS[M+Na]+147.55832859911
AllCCS[M+NH4]+146.6432859911
AllCCS[M-H]-380.42432859911
AllCCS[M+Na-2H]-392.75632859911
AllCCS[M+HCOO]-406.16832859911

Predicted Kovats Retention Indices

Not Available
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available