中文名 | 二苯基环丙烯酮 |
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英文名 | 2,3-bis(2,4,6-trimethylphenyl)cycloprop-2-en-1-one |
英文别名 |
bis(2,4,6-trimethylphenyl)cyclopropenone
2,3-dimesitylcyclopropenone MFCD00051390 2,3-Bis(2,4,6-trimethylphenyl)cyclopropenone 2-Cyclopropen-1-one,2,3-bis(2,4,6-trimethylphenyl) 2,3-Dimesityl-2-cyclopropen-1-one 1,2-dimesitylcyclopropenoe 2-Cyclopropen-1-one, 2,3-bis(2,4,6-trimethylphenyl)- dimesitylcyclopropenone |
密度 | 1.1±0.1 g/cm3 |
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沸点 | 479.1±45.0 °C at 760 mmHg |
分子式 | C21H22O |
分子量 | 290.399 |
闪点 | 210.6±23.7 °C |
精确质量 | 290.167053 |
PSA | 17.07000 |
LogP | 6.54 |
蒸汽压 | 0.0±1.2 mmHg at 25°C |
折射率 | 1.606 |
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:91.39 2、 摩尔体积(m3/mol):265.0 3、 等张比容(90.2K):483.1 4、 表面张力(dyne/cm):44.1 5、 极化率(10-24cm3):36.23 |
计算化学 | 1.疏水参数计算参考值(XlogP):5.5 2.氢键供体数量:0 3.氢键受体数量:1 4.可旋转化学键数量:2 5.互变异构体数量:41 6.拓扑分子极性表面积17.1 7.重原子数量:22 8.表面电荷:0 9.复杂度:422 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:0 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):无可用 6. 沸点(ºC,5.2kPa):无可用 7. 折射率:无可用 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 |
Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. 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: Treat symptomatically and supportively. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: In case of fire, use carbon dioxide, dry chemical powder or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 61440-88-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Chunks Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. 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: C21H24O Molecular Weight: 292.1674 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Dust generation. 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# 61440-88-8 unlisted. LD50/LC50: Not available. Carcinogenicity: Dimesitylcyclopropenone - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. 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# 61440-88-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 61440-88-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 61440-88-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
生态学数据: 该物质对环境可能有危害,对水体应给予特别注意。
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安全声明 (欧洲) | S24/25 |
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~70% 61440-88-8 |
文献:Poloukhtine, Andrei; Popik, Vladimir V. Journal of Organic Chemistry, 2003 , vol. 68, # 20 p. 7833 - 7840 |
~8% 61440-88-8 |
文献:Dehmlow, Eckehard V.; Winterfeldt, Andreas Tetrahedron, 1989 , vol. 45, # 10 p. 2925 - 2936 |
~% 61440-88-8 |
文献:Hardee, David J.; Kovalchuke, Lyudmila; Lambert, Tristan H. Journal of the American Chemical Society, 2010 , vol. 132, # 14 p. 5002 - 5003 |
~% 61440-88-8 |
文献:Hardee, David J.; Kovalchuke, Lyudmila; Lambert, Tristan H. Journal of the American Chemical Society, 2010 , vol. 132, # 14 p. 5002 - 5003 |