39753-73-6

• 常用中文名：1-羟基-2,2,4,5,5-五甲基-3-咪唑啉
• 常用英文名：1-hydroxy-2,2,4,5,5-pentamethylimidazole
• CAS号：39753-73-6
• 分子式：C₈H₁₆N₂O
• 分子量：156.22500
• 发布时间：2019-01-10 18:25:41
• 更新时间：2024-01-12 16:40:20

名称

• 中文名: 1-羟基-2,2,4,5,5-五甲基-3-咪唑啉
• 英文名: 1-hydroxy-2,2,4,5,5-pentamethylimidazole
• 英文别名: 2,2,4,5,5-pentamethyl-2,5-dihydro-imidazol-1-ol; 1-hydroxy-2,2,4,5,5-pentamethyl-2,5-dihydro-1H-imidazole; 2,2,4,5,5-Pentamethyl-2,5-dihydro-1H-imidazol-1-ol; 1h-imidazole,2,5-dihydro-1-hydroxy-2,2,4,5,5-pentamethyl; 1-Hydroxy-2,2,4,5,5-pentamethyl-imidazolin; 1-Hydroxy-2,2,4,5,5-pentamethyl-3-imidazolin; 1-Hydroxy-2,2,4,5,5-pentamethyl-3-imidazoline

物化性质

• 密度: 1.02g/cm3
• 沸点: 213.4ºC at 760 mmHg
• 熔点: 126-130ºC
• 分子式: C₈H₁₆N₂O
• 分子量: 156.22500
• 闪点: 82.9ºC
• 精确质量: 156.12600
• PSA: 35.83000
• LogP: 1.04030
• 折射率: 1.502
• 储存条件:

  密闭于0 -6 ℃ 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：44.86

  2、 摩尔体积（m³/mol）：151.8

  3、 等张比容（90.2K）：360.1

  4、 表面张力（dyne/cm）：31.6

  5、 极化率（10 ^-24cm ³）：17.78

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.6

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积35.8

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:206

  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）：126-130

  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: 1-Hydroxy-2 2 4 5 5-pentamethyl-3-imidazoline 98% Material Safety Data Sheet Synonym: 1H-Imidazole, 2,5-dihydro-1-hydroxy-2,2,4,5,5-pentamethyl- CAS: 39753-73-6 Section 1 - Chemical Product MSDS Name:1-Hydroxy-2 2 4 5 5-pentamethyl-3-imidazoline 98% Material Safety Data Sheet Synonym:1H-Imidazole, 2,5-dihydro-1-hydroxy-2,2,4,5,5-pentamethyl- Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 39753-73-6 1-Hydroxy-2,2,4,5,5-pentamethyl-3-imid 98 unlisted Hazard Symbols: XN Risk Phrases: 40 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Limited evidence of a carcinogenic effect.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. The toxicological properties of this material have not been fully investigated. 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: Harmful if inhaled. May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: Chronic inhalation and ingestion may cause effects similar to those of acute inhalation and ingestion. 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: If inhaled, remove to fresh air. 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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion. 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: Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Do not breathe dust. Storage: Store in a cool, dry place. Keep container closed when not in use. Keep refrigerated. (Store below 4C/39F.) 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# 39753-73-6: 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: 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: Crystalline powder Color: slightly beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 127 - 128 deg C Autoignition Temperature: Not available. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: soluble Specific Gravity/Density: Molecular Formula: C8H16N2O Molecular Weight: 156.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Dust generation, heat. Incompatibilities with Other Materials: Strong reducing agents, strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 39753-73-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Hydroxy-2,2,4,5,5-pentamethyl-3-imidazoline - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 40 Limited evidence of a carcinogenic effect. Safety Phrases: S 22 Do not breathe dust. S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 39753-73-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 39753-73-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 39753-73-6 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): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26;S36/S37/S39

合成路线

18796-04-8 ~% 39753-73-6

文献：Grigor'ev, I. A.; Shchukin, G. I.; Volodarskii, L. B. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1983 , vol. 32, # 5 p. 1030 - 1035 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1983 , # 5 p. 1140 - 1146

89686-16-8 67-64-1 ~% 39753-73-6

文献：Sommer, Christian; Noeth, Heinrich; Ponikwar, Werner; Beck, Wolfgang Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, 2004 , vol. 59, # 6 p. 639 - 654

39753-74-7 ~% 39753-73-6

文献：Grigor'ev, I. A.; Shchukin, G. I.; Volodarskii, L. B. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1983 , vol. 32, # 5 p. 1030 - 1035 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1983 , # 5 p. 1140 - 1146

39753-74-7 122-66-7 ~% 39753-73-6 1227476-15-4

文献：Malievskii, A. D.; Koroteev, S. V.; Volodarskii, L. B.; Shapiro, A. B. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1990 , vol. 39, # 11 p. 2331 - 2338 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1990 , # 11 p. 2575 - 2582

上下游产品

上游产品  5
18796-04-8 89686-16-8 67-64-1 39753-74-7
122-66-7
下游产品  4
84271-26-1 84401-76-3 39753-74-7 84401-75-2