Simethicone

Modify Date: 2024-01-02 10:42:18

Simethicone Structure
Simethicone structure
Common Name Simethicone
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 Simethicone


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].

 Names

Name polydimethylsiloxane
Synonym More Synonyms

 Simethicone Biological Activity

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].
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

[1]. Voepel-Lewis TD, et al. Evaluation of simethicone for the treatment of postoperative abdominal discomfort in infants. J Clin Anesth. 1998 Mar;10(2):91-4.  

[2]. Bueno L, et al. Influence of simethicone and alverine on stress-induced alterations of colonic permeability and sensitivity in rats: beneficial effect of their association. J Pharm Pharmacol. 2013 Apr;65(4):567-73.  

[3]. da Silva KG, et al. Influence of simethicone and fasting on the quality of abdominal ultrasonography in New Zealand White rabbits. Acta Vet Scand. 2017 Jul 17;59(1):48.  

 Chemical & Physical Properties

Density 1 g/mL at 20ºC
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.

 MSDS


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

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VW6200000
CHEMICAL NAME :
Simethicone
CAS REGISTRY NUMBER :
8050-81-5
LAST UPDATED :
199504

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
AMSGAO AMA Archives of Surgery. (Chicago, IL) V.61-80, 1950-60. For publisher information, see ARSUAX. Volume(issue)/page/year: 78,220,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes
REFERENCE :
AMSGAO AMA Archives of Surgery. (Chicago, IL) V.61-80, 1950-60. For publisher information, see ARSUAX. Volume(issue)/page/year: 78,220,1959 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4515 No. of Facilities: 1163 (estimated) No. of Industries: 6 No. of Occupations: 20 No. of Employees: 90654 (estimated) No. of Female Employees: 75193 (estimated)

 Safety Information

Hazard Codes Xn: Harmful;Xi: Irritant;
Risk Phrases 36/37-20
Safety Phrases 26-36-23
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS TQ2690000

 Articles25

More Articles
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...

Commentary: low-volume bowel preparation for colonoscopy - authors' reply.

Aliment. Pharmacol. Ther. 36(10) , 989, (2012)

Commentary: low-volume bowel preparation for colonoscopy.

Aliment. Pharmacol. Ther. 36(10) , 988-9, (2012)

 Synonyms

4-trimethylsilylstyrene
poly(3-hexylthiophene)
poly(4-trimethylsilylstyrene)
Simethicone
p-(Trimethylsilyl)styrene
trimethyl-(4-vinyl-phenyl)-silane
3-(Hex-1-yl)thiophene
poly(acrylamide)
3-hexyltiophene
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