Simethicone structure
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Common Name | Simethicone | ||
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CAS Number | 8050-81-5 | Molecular Weight | 238.46100 | |
Density | 1 g/mL at 20ºC | Boiling Point | 96.5ºC at 760 mmHg | |
Molecular Formula | C6H18O4Si3 | Melting Point | N/A | |
MSDS | USA | Flash Point | 6.3ºC |
Use of SimethiconeSimethicone is an orally active defoamer. Simethicone reduces the surface tension of air bubbles in the gastrointestinal tract, causing them to be expelled by vomiting, exhalation or absorption into the bloodstream. Simethicone has potential applications in flatulence and colic[1]. |
Name | polydimethylsiloxane |
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Synonym | More Synonyms |
Description | Simethicone is an orally active defoamer. Simethicone reduces the surface tension of air bubbles in the gastrointestinal tract, causing them to be expelled by vomiting, exhalation or absorption into the bloodstream. Simethicone has potential applications in flatulence and colic[1]. |
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Related Catalog | |
In Vivo | Simethicone (200 mg/kg;口服;单剂量) 在大鼠中具有肠胃调节功能[2]。 Simethicone (20 mg/kg;口服;单剂量) 在兔子中显示出空肠调节作用[3]。 Animal Model: Female adult Wistar rats (200–250 g)[2]. Dosage: 50, 100 and 200 mg/kg. Administration: Oral gavage; single dose. Result: Improved colon permeability and hypersensitivity (200 mg/kg). Animal Model: Adult New Zealand White (NZW) rabbits[3]. Dosage: 20 mg/kg. Administration: Oral gavage; single dose. Result: Improved image quality scores for the jejunum without affecting left kidney, right kidney and gallbladder. |
References |
Density | 1 g/mL at 20ºC |
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Boiling Point | 96.5ºC at 760 mmHg |
Molecular Formula | C6H18O4Si3 |
Molecular Weight | 238.46100 |
Flash Point | 6.3ºC |
Exact Mass | 238.05100 |
PSA | 52.60000 |
LogP | 1.56770 |
Appearance of Characters | emulsion | Colorless |
Vapour Pressure | 5 mm Hg ( 20 °C) |
Index of Refraction | n20/D 1.406 |
Storage condition | room temp |
Water 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. |
Section 1. Chemical Product and Company Identification Simethicone Common Name/ Trade Name Manufacturer Commercial Name(s) Synonym
Chemical Name Chemical Family Simethicone Section 4. First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention if irritation occurs. Skin ContactWash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops. Serious Skin ContactNot available. InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. Serious InhalationNot available. IngestionDo NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight clothing such as a collar, tie, belt or waistband. Serious IngestionNot available. Section 5. Fire and Explosion Data Flammability of the Product May be combustible at high temperature. Auto-Ignition Temperature Not available. Flash PointsCLOSED CUP: 196°C (384.8°F). Flammable LimitsNot available. Products of CombustionNot available. Fire Hazards in Presence of Slightly flammable to flammable in presence of open flames and sparks, of heat. Various Substances Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in presence of static discharge: Not available. of Various Substances SMALL FIRE: Use DRY chemical powder. Fire Fighting Media and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet. Not available. Special Remarks on Fire Hazards Special Remarks on Explosion Not available. Hazards Section 6. Accidental Release Measures Small SpillAbsorb with an inert material and put the spilled material in an appropriate waste disposal. Large SpillAbsorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning by spreading water on the contaminated surface and allow to evacuate through the sanitary system. Simethicone Section 7. Handling and Storage PrecautionsKeep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not breathe gas/fumes/ vapor/spray. Keep away from incompatibles such as oxidizing agents. StorageKeep container tightly closed. Keep container in a cool, well-ventilated area. Section 8. Exposure Controls/Personal Protection Engineering ControlsProvide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective threshold limit value. Ensure that eyewash stations and safety showers are proximal to the work-station location. Personal Protection Safety glasses. Lab coat. Personal Protection in Case of Splash goggles. Full suit. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a a Large Spillspecialist BEFORE handling this product. Exposure LimitsNot available. Section 9. Physical and Chemical Properties Physical state and appearance Liquid. (viscous, translucent, oil-like)Bland. Mild. Odor TasteNot available. Molecular WeightNot available. ColorLight Gray or white pH (1% soln/water)Not applicable. Boiling Point>150°C (302°F) Melting Point<-50°C (-58°F) Critical TemperatureNot available. 0.995 @ 25 C.(Water = 1) (from Vendor MSDS) Specific Gravity 0.980 (Aldrich; Handbook of Fine Chemicals and Laboratory Equipment, 2000-2001) <0.1 kPa (@ 20°C) Vapor Pressure Vapor Density>1 (Air = 1) VolatilityNot available. Odor ThresholdNot available. Water/Oil Dist. Coeff.Not available. Not available. Ionicity (in Water) Dispersion PropertiesNot available. SolubilityInsoluble in cold water, hot water. Insoluble in alcohol. Section 10. Stability and Reactivity Data StabilityThe product is stable. Not available. Instability Temperature Conditions of InstabilityHeat, incompatible materials Incompatibility with variousReactive with oxidizing agents. substances CorrosivityNot available. Simethicone Not available. Special Remarks on Reactivity Not available. Special Remarks on Corrosivity PolymerizationWill not occur. Section 11. Toxicological Information Routes of EntrySkin. Eye contact. Toxicity to AnimalsLD50: Not available. LC50: Not available. Chronic Effects on Humans May cause damage to the following organs: skin, eyes. Other Toxic Effects on Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation. Humans Special Remarks onNot available. Toxicity to Animals Special Remarks onNot available. Chronic Effects on Humans Special Remarks on otherAcute Potential Health Effects: Toxic Effects on HumansSkin: May cause skin irritation. No evidence of harmful effects from available information Eyes: May cause eye irritation. No evidence of harmful effects from available information. Inhalation: Low hazard. Short-term harmful effects are not expected from vapor generated at ambient temperature. Ingestion: Low hazard. It is not absorbed from the gastrointestinal tract. It is not expected to have any major toxic effects. It may cause stomach upset, bloating, constipatioin, diarrhea, gas, heartburn. No evidence of harmful effects from availble information. Section 12. Ecological Information EcotoxicityNot available. BOD5 and CODNot available. Products of BiodegradationPossibly hazardous short term degradation products are not likely. However, long term degradation products may arise. Toxicity of the ProductsNot available. of Biodegradation Special Remarks on theNot available. Products of Biodegradation Section 13. Disposal Considerations Waste DisposalWaste must be disposed of in accordance with federal, state and local environmental control regulations. Section 14. Transport Information DOT ClassificationNot a DOT controlled material (United States). Not applicable. Identification Not applicable. Special Provisions for Transport Simethicone DOT (Pictograms) Section 15. Other Regulatory Information and Pictograms No products were found. Federal and State Regulations CaliforniaCalifornia prop. 65: This product contains the following ingredients for which the State of California has found to cause cancer which would require a warning under the statute: No products were found. Proposition 65 Warnings California prop. 65: This product contains the following ingredients for which the State of California has found to cause birth defects which would require a warning under the statute: No products were found. Other RegulationsOSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200). WHMIS (Canada) Not controlled under WHMIS (Canada). Other Classifications DSCL (EEC)This product is not classified according Not applicable. to the EU regulations. Health Hazard HMIS (U.S.A.)1 National Fire Protection 1 Flammability 1 Association (U.S.A.) Fire Hazard 1 0 Reactivity Health Reactivity 0 Specific hazard Personal Protection a WHMIS (Canada) (Pictograms) DSCL (Europe) (Pictograms) TDG (Canada) (Pictograms) ADR (Europe) (Pictograms) Protective Equipment Not applicable. Lab coat. Not applicable. Safety glasses. SECTION 16 - ADDITIONAL INFORMATION N/A |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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Hazard Codes | Xn: Harmful;Xi: Irritant; |
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Risk Phrases | 36/37-20 |
Safety Phrases | 26-36-23 |
RIDADR | NONH for all modes of transport |
WGK Germany | 3 |
RTECS | TQ2690000 |
The effects of loperamide, or loperamide plus simethicone, on the distribution of gut water as assessed by MRI in a mannitol model of secretory diarrhoea.
Aliment. Pharmacol. Ther. 36(1) , 64-73, (2012) Loperamide (LOP) is an anti-diarrhoeal agent which is thought to act largely by slowing transit with an uncertain effect on the fluid content of the small and large bowel in humans. Adding simethicone... |
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Commentary: low-volume bowel preparation for colonoscopy - authors' reply.
Aliment. Pharmacol. Ther. 36(10) , 989, (2012)
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Commentary: low-volume bowel preparation for colonoscopy.
Aliment. Pharmacol. Ther. 36(10) , 988-9, (2012)
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