27956-35-0

• 常用中文名：2-(4-甲苯基)丙二醛
• 常用英文名：2-(4-METHYLPHENYL)MALONDIALDEHYDE
• CAS号：27956-35-0
• 分子式：C₁₀H₁₀O₂
• 分子量：162.18500
• 发布时间：2018-06-28 12:36:24
• 更新时间：2024-01-09 12:35:36

名称

• 中文名: 2-(4-甲苯基)丙二醛
• 英文名: 2-(4-methylphenyl)propanedial
• 中文别名: 2-(4-甲基苯基)丙二醛
• 英文别名: MFCD00216506; 2-(4-methylphenyl)malonaldehyde; methylphenylmalonaldehyde; 2-(4-methylphenyl)malondialdehyde; 2-(4-tolyl)malondialdehyde; 2-(2-{2-[(11-SULFANYLUNDECYL)OXY]ETHOXY}ETHOXY)ETHAN-1-OL; 2-(4-methyl-phenyl)-malonodialdehyde; 4-(1,3-Dioxoprop-2-yl)toluene; 2-p-tolylmalondialdehyde; 2-(4-methylphenyl)propane-1,3-dial

物化性质

• 密度: 1.119g/cm3
• 沸点: 322.9ºC at 760mmHg
• 熔点: 128-134ºC
• 分子式: C₁₀H₁₀O₂
• 分子量: 162.18500
• 闪点: 137ºC
• 精确质量: 162.06800
• PSA: 34.14000
• LogP: 1.47640
• 蒸汽压: 0.000111mmHg at 25°C
• 折射率: 1.567
• 储存条件:

  密闭于阴凉干燥环境中

• 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：45.63

  2、 摩尔体积（m³/mol）：150.4

  3、 等张比容（90.2K）：377.7

  4、 表面张力（dyne/cm）：39.7

  5、 极化率（10^-24cm³）：18.09

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  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:3

  5.互变异构体数量:2

  6.拓扑分子极性表面积34.1

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:149

  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）：128-134

  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

MSDS

Name: 2-(4-Methylphenyl)malondialdehyde 95+% (nmr) Material Safety Data Sheet Synonym: CAS: 27956-35-0 Section 1 - Chemical Product MSDS Name:2-(4-Methylphenyl)malondialdehyde 95+% (nmr) Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 27956-35-0 2-(4-methylphenyl)malondialdehyde unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower lids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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: Use agent most appropriate to extinguish fire. Autoignition Temperature: Not available. Flash Point: Not available. NFPA Rating: Not published. Explosion Limits, Lower: Not available. Upper: Not available. 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. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Keep container closed when not in use. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Personal Protective Equipment Eyes: Wear chemical goggles. 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 must be followed whenever workplace conditions warrant a respirator's use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Not available. Appearance: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Vapor Density: Not available. Evaporation Rate: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 131.00 - 134.00 deg C Decomposition Temperature: Not available. Solubility: negligible Specific Gravity/Density: Not available. Molecular Formula: C10H10O2 Molecular Weight: 162.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 27956-35-0 unlisted. CAS# 53868-45-4 unlisted. LD50/LC50: Not available. Not available. Carcinogenicity: 2-(4-methylphenyl)malondialdehyde - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA. 2-(4-METHYLPHENYL)MALONDIALDEHYDE, 95+%(NMR) - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA. See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION For further information, contact Fisher Scientific. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION CDG/CPL IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: III IATA Shipping Name: CORROSIVE SOLID, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Dangerous Goods Code: 8(65C) UN Number: 1759 Canadian TDG No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 25 Avoid contact with eyes. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident of if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 27956-35-0: CAS# 53868-45-4: Canada None of the chemicals in this product are listed on the DSL/NDSL list. WHMIS: Not available. CAS# 27956-35-0 is not listed on Canada's Ingredient Disclosure List. CAS# 53868-45-4 is not listed on Canada's Ingredient Disclosure List. Exposure Limits US FEDERAL TSCA CAS# 27956-35-0 is not listed on the TSCA inventory. It is for research and development use only. CAS# 53868-45-4 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: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): C: Corrosive;
• 风险声明 (欧洲): 34
• 安全声明 (欧洲): 45-36/37/39-25
• 海关编码: 2912299000

合成路线

622-47-9 ~% 27956-35-0

文献：Li, Shenghui; Xu, Shengjie; Ding, Shan; Zhang, Jinchao; Wang, Shuxiang; Li, Xiaoliu Research on Chemical Intermediates, 2014 , vol. 40, # 4 p. 1459 - 1468

海关

海关编码	2912299000
中文概述	2912299000. 其他不含其他含氧基的环醛. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 四聚甲醛报明外观
Summary	2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%