60434-71-1

• 常用中文名：(S)-(-)-1,2-丙二醇Di-甲苯磺酸盐
• 常用英文名：(S)-(-)-1,2-PROPANEDIOL DI-P-TOSYLATE
• CAS号：60434-71-1
• 分子式：C₁₇H₂₀O₆S₂
• 分子量：384.46700
• 发布时间：2018-12-03 02:16:40
• 更新时间：2024-01-13 11:38:41

名称

• 中文名: (S)-(-)-1,2-丙二醇Di-甲苯磺酸盐
• 英文名: (S)-(-)-1,2-Propanediol di-p-tosylate
• 中文别名: (S)-(-)-1,2-丙二醇-二-对甲苯磺酸
• 英文别名: 2-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate; MFCD00063307

物化性质

• 密度: 1.298g/cm3
• 沸点: 546.8ºC at 760 mmHg
• 熔点: 68-70 °C(lit.)
• 分子式: C₁₇H₂₀O₆S₂
• 分子量: 384.46700
• 闪点: 284.5ºC
• 精确质量: 384.07000
• PSA: 103.50000
• LogP: 4.96430
• 折射率: 1.559
• 储存条件:

  在密封的贮藏器内，并放置阴凉，干燥的地方通风保存

• 稳定性:

  避免接触氧化物

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.3

  2.氢键供体数量:0

  3.氢键受体数量:6

  4.可旋转化学键数量:7

  5.互变异构体数量:无

  6.拓扑分子极性表面积104

  7.重原子数量:25

  8.表面电荷:0

  9.复杂度:601

  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:1

  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：白色晶体

  2. 密度（g/cm³ 20ºC ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：68-70

  5. 沸点（ºC）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（°）：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（kPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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（25℃）：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(mg/mL 20ºC)：未确定

MSDS

Name: (s)-(-)-1 2-Propanediol di-p-tosylate 99% Material Safety Data Sheet Synonym: None CAS: 60434-71-1 Section 1 - Chemical Product MSDS Name:(s)-(-)-1 2-Propanediol di-p-tosylate 99% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 60434-71-1 (S)-(-)-1,2-Propanediol di-p-tosylate 99.0 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: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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: Antidote: None reported. 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. Use water spray, dry chemical, carbon dioxide, 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 tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 60434-71-1: 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: 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: Solid Color: white crystalline powder Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 68 - 70 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: C17H20O6S2 Molecular Weight: 384.47 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stability unknown. Conditions to Avoid: Incompatible materials, dust generation. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 60434-71-1 unlisted. LD50/LC50: Not available. Carcinogenicity: (S)-(-)-1,2-Propanediol di-p-tosylate - 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. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. 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# 60434-71-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 60434-71-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 60434-71-1 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: 若无政府许可，勿将材料排入周围环境

安全

• 安全声明 (欧洲): S24/25
• WGK德国: 3
• 海关编码: 2905199090

合成路线

4254-15-3 98-59-9 ~0% 32464-98-5 60434-71-1

文献：Turgut, Yilmaz; Aral, Tarik; Hosgoren, Halil Tetrahedron Asymmetry, 2009 , vol. 20, # 19 p. 2293 - 2298 Title/Abstract Full Text View citing articles Show Details Turgut, Yilmaz; Aral, Tarik; Karakaplan, Mehmet; Deniz, Pinar; Hosgoren, Halil Synthetic Communications, 2010 , vol. 40, # 22 p. 3365 - 3377

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海关

海关编码	2905199090
中文概述	2905199090. 其他饱和一元醇. 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, 包装
Summary	2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%