109751-81-7

• 常用中文名：4-三甲基硅巴豆酸三甲基硅酯
• 常用英文名：TRIMETHYLSILYL 4-TRIMETHYLSILYLCROTONATE
• CAS号：109751-81-7
• 分子式：C₁₀H₂₂O₂Si₂
• 分子量：230.45100
• 发布时间：2018-08-23 16:37:30
• 更新时间：2024-01-19 22:01:32

名称

• 中文名: 4-三甲基硅巴豆酸三甲基硅酯
• 英文名: trimethylsilyl 4-trimethylsilylbut-2-enoate
• 英文别名: 2-Butenoicacid,4-(trimethylsilyl)-,trimethylsilyl ester,(E); 2-Butenoic acid,4-(trimethylsilyl)-,trimethylsilyl ester,(2E); 4-trimethylsilyl trimethylsilyl crotonic ester; 4-trimethylsilyl-2-butenoate trimethylsilyl ester

物化性质

• 沸点: 100ºC (10 mmHg)
• 分子式: C₁₀H₂₂O₂Si₂
• 分子量: 230.45100
• 精确质量: 230.11600
• PSA: 26.30000
• LogP: 3.25890
• 折射率: 1.444-1.446
• 储存条件:

  密闭于0-6 ºC阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：67.64

  2、 摩尔体积（m³/mol）：262.1

  3、 等张比容（90.2K）：560.2

  4、 表面张力（dyne/cm）：20.8

  5、 极化率（10^-24cm³）：26.81

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积26.3

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:221

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:1

  15.共价键单元数量:1

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：100/10 mmHg

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.444-1.446

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: Trimethylsilyl 4-trimethylsilylcrotonate Material Safety Data Sheet Synonym: CAS: 109751-81-7 Section 1 - Chemical Product MSDS Name:Trimethylsilyl 4-trimethylsilylcrotonate Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 109751-81-7 Trimethylsilyl 4-trimethylsilylcrotona unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use extinguishing media most appropriate for the surrounding fire. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.) Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 109751-81-7: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 100 deg C @ 10.00mm Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: (CH3)3SiCH2CHCHCOOSi(CH3)3 Molecular Weight: 230.45 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 109751-81-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Trimethylsilyl 4-trimethylsilylcrotonate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 109751-81-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 109751-81-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 109751-81-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 安全声明 (欧洲): 24/25
• 海关编码: 2931900090

合成路线

75-77-4 625-38-7 ~89% 109751-81-7

文献：Bellassoued, M.; Ennigrou, R.; Gaudemar, M. Journal of Organometallic Chemistry, 1988 , vol. 338, p. 149 - 158

75-77-4 107-93-7 ~66% 109751-81-7

文献：Bellassoued, M.; Ennigrou, R.; Gaudemar, M. Journal of Organometallic Chemistry, 1988 , vol. 338, p. 149 - 158

上下游产品

上游产品  3
75-77-4 625-38-7 107-93-7
下游产品  2
69637-30-5 69637-13-4

海关

海关编码	2931900090
中文概述	2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
Summary	2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%