CAS 8050-81-5|Simethicone

Introduction：Basic information about CAS 8050-81-5|Simethicone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Simethicone BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Articles25
7. Synonyms

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	/
MSDS	USA	Flash Point	6.3ºC

Names

Name	polydimethylsiloxane
Synonym	More Synonyms

Simethicone BiologicalActivity

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	Research Areas >>OthersSignaling Pathways >>Others >>Others
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
InChIKey	AMTWCFIAVKBGOD-UHFFFAOYSA-N
SMILES	CO[Si](C)(C)O[Si](C)(C)C.O=[Si]=O
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.

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

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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