Simethicone

Base Information

• Chemical Name: Simethicone
• CAS No.: 8050-81-5
• Molecular Formula: (C2H6OSi)n
• Molecular Weight: 238.46100
• Hs Code.: 3910000000
• European Community (EC) Number: 617-098-1,933-297-9
• Wikipedia: Simeticone
• Wikidata: Q419415
• NCI Thesaurus Code: C29453
• Metabolomics Workbench ID: 152413
• Mol file: 8050-81-5.mol

Synonyms:Phazyme 125;Simethicone

Chemical Property of Simethicone

Chemical Property:

• Vapor Pressure: 5 mm Hg ( 20 °C)
• Refractive Index: n20/D 1.406
• Boiling Point: 96.5oC at 760 mmHg
• Flash Point: 6.3oC
• PSA: 52.60000
• Density: 1 g/mL at 20oC
• LogP: 1.56770
• Storage Temp.: room temp
• Solubility.: Practically insoluble in water, very slightly soluble or practically insoluble in anhydrous ethanol, practically insoluble in methanol, partly miscible with ethyl acetate, with methylene chloride, with methyl ethyl ketone and with toluene.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 238.05128865
• Heavy Atom Count: 13
• Complexity: 125

Purity/Quality:

99.9% ^*data from raw suppliers

Simethicone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37-20-62
• Safety Statements: 26-36-23-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CO[Si](C)(C)O[Si](C)(C)C.O=[Si]=O
• Recent ClinicalTrials: Efficacy and Safety of Mebeverine + Simethicone in Patients With Functional Bowel Disorders
• Recent EU Clinical Trials: Use of N-Acetylcysteine (NAC) and Simeticone as a pre-endoscopic drink to improve mucosal visualisation during gastroscopy: A randomised controlled trial
• Uses: Antifoam A Concentrate has been used as a component of Luria Bertani culture medium for growth of BL21 (DE3) E. coli cells transformed with the plasmids. It has also been used as a constituent in the preparation of aerosol generation fluid. Simethicone is an oral anti-foaming agent used to reduce bloating, discomfort and pain caused by excess gas in the stomach or intestinal tract. Simethicone is a mixture of polydimethylsiloxane and hydrated silica gel. Simethicone Emulsion USP is a water dilutable, non-ionic emulsion containing 30% Simethicone USP by weight. Highly stable over a broad pH range. Simethicones are used as anti foam agents in the manufacture of drugs. Their use in Pharmaceuticals is to comb
• Therapeutic Function: Antiflatulent