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Dioctahedral smectite

CAT: 0926-FD29516-01Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FD29516-01Size:1 Kg
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CAS Number
1318-93-0
Synonyms
Montmorillonite K10
MDL Number
MFCD00132796
Smiles
O.[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Al+3].[Al+3]
Molecular Formula
Al2O9Si3
Molecular Weight
282.21 g/mol
Controlled
No

Chemical Information

Bentonite

The Panel also concluded that the following 7 ingredients are safe in cosmetics in the present practice of use and concentration described in this safety assessment, with the exception that the available data are insufficient to make a determination of safety for these ingredients in products that may be incidentally inhaled: Bentonite

CAS Number1318-93-0
PubChem CID71586775
IUPAC Namedialuminum;tetrakis(dioxosilane);tris(oxygen(2-));hydrate
Molecular FormulaAl2H2O12Si4
Molecular Weight360.31
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity18
SMILES
O.[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Al+3].[Al+3]
InChI
InChI=1S/2Al.4O2Si.H2O.3O/c;;4*1-3-2;;;;/h;;;;;;1H2;;;/q2*+3;;;;;;3*-2
InChIKey
GUJOJGAPFQRJSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bentonite
CAS: 1318-93-0
CID: 71586775
Formula: Al2H2O12Si4
MW: 360.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count0
Exact Mass359.825408
Monoisotopic Mass359.825408
Topological Polar Surface Area141 Ų
Heavy Atom Count18
Formal Charge0
Complexity18.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count10
Compound Is CanonicalizedYes

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