40393-99-5

• 常用中文名：2,4,6-三甲基苄胺
• 常用英文名：1-Mesitylmethanamine
• CAS号：40393-99-5
• 分子式：C₁₀H₁₅N
• 分子量：149.233
• 相关类别： 化学试剂 有机试剂 酰亚胺
• 发布时间：2018-07-17 10:15:45
• 更新时间：2024-01-03 15:29:26

名称

• 中文名: 2,4,6-三甲基苄胺
• 英文名: 2,4,6-Trimethylbenzylamine
• 英文别名: 1-(2,4,6-trimethylphenyl)methanamine; Benzenemethanamine, 2,4,6-trimethyl-; 1-Mesitylmethanamine; (2,4,6-trimethylphenyl)methanamine; Mesitylmethanamine

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 246.5±9.0 °C at 760 mmHg
• 分子式: C₁₀H₁₅N
• 分子量: 149.233
• 闪点: 102.4±8.5 °C
• 精确质量: 149.120453
• PSA: 26.02000
• LogP: 2.47
• 外观性状: 透明黄色液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.534
• 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： 49.17

  2、 摩尔体积（m³/mol）：158.2

  3、 等张比容（90.2K）：386.0

  4、 表面张力（dyne/cm）：35.4

  5、 极化率（10 ^-24cm ³）：19.49

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.9

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积26

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:110

  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：1.536-1.538

  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 6-Trimethylbenzylamine Material Safety Data Sheet Synonym: None Known CAS: 40393-99-5 Section 1 - Chemical Product MSDS Name:2 4 6-Trimethylbenzylamine Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 40393-99-5 2,4,6-Trimethylbenzylamine ca. 100 unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Corrosive. Potential Health Effects Eye: Causes eye burns. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color. Ingestion: May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects. Inhalation: Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes). Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 40393-99-5: 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 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: Not available. 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: C10H15N Molecular Weight: 149.24 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not currently available. Conditions to Avoid: None reported. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 40393-99-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,4,6-Trimethylbenzylamine - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Ecotoxicity: Fish: Pseudomonas putida: Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: Amines, liquid, corrosive, n.o.s.* Hazard Class: 8 UN Number: 2735 Packing Group: III IMO Shipping Name: Amines, liquid, corrosive, n.o.s. Hazard Class: 8 UN Number: 2735 Packing Group: III RID/ADR Shipping Name: Amines, Liquid, Corrosive, N.O.S. Hazard Class: 8 UN Number: 2735 Packing group: 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 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 40393-99-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 40393-99-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 40393-99-5 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): R34
• 安全声明 (欧洲): S26-S36/37/39-S45
• 海关编码: 2921199090

合成路线

1585-16-6 ~60% 40393-99-5

文献：Texas Biotechnology Corporation Patent: US6420567 B1, 2002 ; US 6420567 B1

2571-52-0 ~% 40393-99-5

文献：Fuson; Denton Journal of the American Chemical Society, 1941 , vol. 63, p. 654

93368-76-4 ~% 40393-99-5

文献：Wu, Chengde; Decker, E. Radford; Blok, Natalie; Bui, Huong; Chen, Qi; Raju; Bourgoyne, Andree R.; Knowles, Vippra; Biediger, Ronald J.; Market, Robert V.; Lin, Shuqun; Dupre, Brian; Kogan, Timothy P.; Holland, George W.; Brock, Tommy A.; Dixon, Richard A. F. Journal of Medicinal Chemistry, 1999 , vol. 42, # 22 p. 4485 - 4499

64489-90-3 108-24-7 ~% 40393-99-5

文献：Fuson; Denton Journal of the American Chemical Society, 1941 , vol. 63, p. 654

108-67-8 ~% 40393-99-5

文献：Hinkel; Summers Journal of the Chemical Society, 1952 , p. 2813,1816

上下游产品

上游产品  6
1585-16-6 2571-52-0 93368-76-4 64489-90-3
108-24-7 108-67-8
下游产品  4
487-68-3 4674-23-1 64489-90-3 54130-63-1

海关

海关编码	2921199090
中文概述	2921199090 其他无环单胺及其衍生物及其盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%