Magnesium stearate - technical grade , CAS No.557-04-0

CAS: 557-04-0 Cat. No.: M432905 Molecular Weight: 591.24 Beilstein Registry Number: 3919702 EC Number: 209-150-3

GRADE & PURITY Technical grade

Synonyms

Octadecanoic acid, magnesium salt (2:1) | Magnesium distearate | Dibasic magnesium stearate | magnesium(ii) stearate | Magnesium octadecanoate | Stearic acid, magnesium salt | Stearic Acid Magnesium(II) Salt

Storage

Room temperature

Overview

Magnesium stearate (Mg-St) is the magnesium salt of stearic acid. Its anhydrate, dihydrate and trihydrate forms have been prepared. The tabletting of the blends of magnesium stearate and lactose granules has been described. The influence of mixing time on hardness, disintegration time and ejection force on the compressed tablets was examined. Mg-St is widely used lubricant in pharmaceutical industry. It also plays a role in delaying the process of dissolution. Its detection in tablets by laser-induced breakdown spectroscopy has been proposed.

Application

Magnesium stearate may be used as excipient in the formulations of diclofenac sodium tablets. It may be used for the preparation of tramadol HCl matrix tablets.

Specifications

Synonyms

Octadecanoic acid, magnesium salt (2:1) | Magnesium distearate | Dibasic magnesium stearate | magnesium(ii) stearate | Magnesium octadecanoate | Stearic acid, magnesium salt | Stearic Acid Magnesium(II) Salt

Specifications & Purity

technical grade

Storage

Room temperature

Grade

Technical grade

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
• IUPAC Name: magnesium;octadecanoate
• InChIKey: HQKMJHAJHXVSDF-UHFFFAOYSA-L
• INCHI: 1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
• RTECS: WI4390000
• Molecular Weight: 591.24
• Beilstein: 3919702
• Reaxy-Rn: 3919702
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3919702&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: magnesium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 591.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 30
• Exact Mass: 590.512 Da
• Monoisotopic Mass: 590.512 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 196.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

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