95061-51-1

• 常用中文名：(S)-(-)-2-羟基-1,2,2-三苯基乙酸乙酯
• 常用英文名：(1S)-2-Hydroxy-1,2,2-triphenylethyl acetate
• CAS号：95061-51-1
• 分子式：C₂₂H₂₀O₃
• 分子量：332.392
• 发布时间：2018-12-29 13:40:37
• 更新时间：2024-01-02 09:18:44

名称

• 中文名: (S)-(-)-1,1,2-三苯基-1,2-丁二醇2-醋酸酯
• 英文名: (S)-(-)-2-Hydroxy-1,2,2-Triphenylethyl Acetate
• 中文别名: 醋酸(S)-(-)-2-羟基-1,2,2-三苯乙酯; (S)-(-)-2-羟基-1,2,2-三苯基乙酸乙酯
• 英文别名: (1S)-2-Hydroxy-1,2,2-triphenylethyl acetate; MFCD00066241; 1,2-Ethanediol, 1,1,2-triphenyl-, 2-acetate, (2S)-; [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 487.6±40.0 °C at 760 mmHg
• 熔点: 246-249 °C
• 分子式: C₂₂H₂₀O₃
• 分子量: 332.392
• 闪点: 197.6±20.1 °C
• 精确质量: 332.141235
• PSA: 46.53000
• LogP: 4.94
• 外观性状: 白色至淡黄色晶体粉末
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.604
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  常温常压下稳定，避免与不相容材料接触。与强氧化剂反应。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4

  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:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积46.5

  7.重原子数量:25

  8.表面电荷:0

  9.复杂度:397

  10.同位素原子数量:0

  11.确定原子立构中心数量:1

  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：白色粉末

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：246-249

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，0.1mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: (S)-(-)-2-Hydroxy-1 2 2-triphenylethyl acetate 99% Material Safety Data Sheet Synonym: (S)-1,1,2-Triphenyl-1,2-ethanediol 2-acetate CAS: 95061-51-1 Section 1 - Chemical Product MSDS Name:(S)-(-)-2-Hydroxy-1 2 2-triphenylethyl acetate 99% Material Safety Data Sheet Synonym:(S)-1,1,2-Triphenyl-1,2-ethanediol 2-acetate Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 95061-51-1 (S)-(-)-2-Hydroxy-1,2,2-triphenylethyl 99% unlisted Hazard Symbols: None Listed. 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. 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. The toxicological properties of this substance have not been fully investigated. 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: 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. 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: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. 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 breathing dust, vapor, mist, or gas. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 95061-51-1: 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: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 248 - 252 deg C 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: C22H20O3 Molecular Weight: 332.1382 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# 95061-51-1 unlisted. LD50/LC50: Not available. Carcinogenicity: (S)-(-)-2-Hydroxy-1,2,2-triphenylethyl acetate - 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# 95061-51-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 95061-51-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 95061-51-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): S24/25
• 海关编码: 2915390090

合成路线

108998-83-0 75-36-5 ~63% 95061-51-1

文献：Ewing; Harris; Bhat; Joullie Tetrahedron, 1986 , vol. 42, # 9 p. 2421 - 2428

108-86-1 13704-09-1 75-36-5 ~% 95061-51-1

文献：Organic Preparations and Procedures International, , vol. 23, # 2 p. 173 - 180

21210-43-5 ~% 95061-51-1

文献：Chemische Berichte, , vol. 121, p. 397 - 406

17199-29-0 ~% 95061-51-1

文献：Chemische Berichte, , vol. 121, p. 397 - 406

上下游产品

上游产品  6
108998-83-0 75-36-5 108-86-1 13704-09-1
21210-43-5 17199-29-0
下游产品  4
108998-83-0 194934-95-7 58521-49-6 66967-01-9

海关

海关编码	2915390090
中文概述	2915390090. 其他乙酸酯. 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:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2915390090. esters of acetic acid. 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:5.5%. General tariff:30.0%