8050-81-5

• 常用中文名：二甲基硅油
• 常用英文名：Simethicone
• CAS号：8050-81-5
• 分子式：C₆H₁₈O₄Si₃
• 分子量：238.46100
• 相关类别： 原料药 消化系统用药 抗酸及胃黏膜保护药
• 发布时间：2018-09-03 22:01:31
• 更新时间：2024-01-02 10:42:18
• 二甲基硅氧烷是一种口服活性消泡剂。二甲基硅氧烷可降低胃肠道中气泡的表面张力,使其通过呕吐、呼气或吸收而排出到血液中。二甲基硅氧烷在肠胃气胀和绞痛方面有潜在的应用[1]。

名称

• 中文名: 二甲基硅油350
• 英文名: polydimethylsiloxane
• 英文别名: 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

物化性质

• 密度: 1 g/mL at 20ºC
• 沸点: 96.5ºC at 760 mmHg
• 分子式: C₆H₁₈O₄Si₃
• 分子量: 238.46100
• 闪点: 6.3ºC
• 精确质量: 238.05100
• PSA: 52.60000
• LogP: 1.56770
• 外观性状: emulsion | Colorless
• 蒸汽压: 5 mm Hg ( 20 °C)
• 折射率: n20/D 1.406
• 储存条件: room temp
• 稳定性:

  硅油具有生理惰性,无臭、无味、无毒、无刺激,对皮肤不过敏。硅油能在皮肤表面形成均匀的防水、透气的保护膜,并能防止紫外线对皮肤的侵害。与皮肤的相容性好,与化妆品中其他组分有良好的配伍性能。乳化性好,并具有抗静电性。

• 水溶解性: 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.
• 更多:

  1.性状：无色透明液体或为黏性液体,几乎无气味。

  2.相对密度：0.850~1.050。

  3.折射率：1.385~1.410。

  4.溶解度：不溶于水和乙醇、四氯化碳、苯、氯仿、乙醚、甲苯及其他有机溶剂。

生物活性

• 描述: 二甲基硅氧烷是一种口服活性消泡剂。二甲基硅氧烷可降低胃肠道中气泡的表面张力,使其通过呕吐、呼气或吸收而排出到血液中。二甲基硅氧烷在肠胃气胀和绞痛方面有潜在的应用[1]。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 体内研究: 二甲基硅氧烷(200 mg/kg口服；单剂量) 在大鼠中具有肠胃调节功能[2]。 二甲基硅氧烷(20 mg/kg口服；单剂量) 在兔子中显示出空肠调节作用[3]。 动物模型：雌性成年Wistar大鼠(200-250 g)[2]。剂量：50、100和200 mg/kg。给药：经口灌胃；单剂量。结果：结肠通透性和超敏反应得到改善(200mg/kg)。动物模型：成年新西兰白(NZW)兔[3]。剂量：20 mg/kg。给药：经口灌胃；单剂量。结果：改善了空肠的图像质量评分,而不影响左肾、右肾和胆囊。
• 参考文献:

  [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.

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

毒性和生态

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)

安全

• 危害码 (欧洲): Xn: Harmful;Xi: Irritant;
• 风险声明 (欧洲): 36/37-20
• 安全声明 (欧洲): 26-36-23
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: TQ2690000

制备

采用碱法和酸法。碱法是以二甲基环硅氧烷为原料,在六甲基二硅醚止链剂和四甲基氢氧化铵催化剂存在下,进行调聚反应而得。酸法是以硅橡胶的低沸物为原料,在六甲基二硅醚止链剂和浓硫酸催化剂存在下,进行调聚反应,然后经除酸、洗涤、脱色、抽滤而得。