20461-95-4

• 常用中文名：二(乙硫基)乙酸乙酯
• 常用英文名：ETHYL BIS(ETHYLTHIO)ACETATE
• CAS号：20461-95-4
• 分子式：C₈H₁₆O₂S₂
• 分子量：208.34100
• 相关类别： 化学试剂 有机试剂 酯类 乙酯类化合物
• 发布时间：2018-06-28 11:40:24
• 更新时间：2024-01-02 19:41:04

名称

• 中文名: 二(乙硫基)乙酸乙酯
• 英文名: ethyl 2,2-bis(ethylsulfanyl)acetate
• 中文别名: 双(乙基硫代)乙酸乙酯
• 英文别名: Bis-aethylmercapto-essigsaeure-aethylester; Glyoxylic acid ethyl ester diethyl mercaptal; EINECS 243-836-3; ethyl glyoxylate diethyl thioacetal; MFCD00009267; bis-ethylsulfanyl-acetic acid ethyl ester

物化性质

• 密度: 1.082g/cm3
• 沸点: 288.2ºC at 760mmHg
• 分子式: C₈H₁₆O₂S₂
• 分子量: 208.34100
• 闪点: 117.3ºC
• 精确质量: 208.05900
• PSA: 76.90000
• LogP: 2.38180
• 蒸汽压: 0.00238mmHg at 25°C
• 折射率: n20/D 1.497(lit.)
• 储存条件:

  密闭，阴凉，干燥处

• 稳定性:

  按规定使用和贮存的不会分解，避氧化剂、碱、热、明火

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.7

  2.氢键供体数量:0

  3.氢键受体数量:4

  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76.9

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:122

  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：恶臭的浅黄色透明液体

  2. 密度（g/mL25 ºC）：1.071

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：300

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，0.1hPa）：70

  7. 折射率：n20/D 1.497

  8. 闪点（ºC）：25

  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（hPa,20 ºC）：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（正辛醇/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: Ethyl bis(ethylthio)acetate 99% Material Safety Data Sheet Synonym: CAS: 20461-95-4 Section 1 - Chemical Product MSDS Name:Ethyl bis(ethylthio)acetate 99% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 20461-95-4 Ethyl bis(ethylthio)acetate, 99% 99 243-836-3 Hazard Symbols: None Listed. Risk Phrases: 10 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Flammable. 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 eyelids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of 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 and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: Flammable liquid and vapor. Extinguishing Media: Use agent most appropriate to extinguish fire. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Section 7 - HANDLING and STORAGE Handling: Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Flammables-area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 20461-95-4: Personal Protective Equipment Eyes: Wear chemical splash 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 or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Clear liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 70.0 - 70.0 deg C @ .10mm Hg Freezing/Melting Point: 0 deg C Autoignition Temperature: Not available. Flash Point: 25 deg C ( 77.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.0710g/cm3 Molecular Formula: C8H16O2S2 Molecular Weight: 208.33 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# 20461-95-4 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl bis(ethylthio)acetate, 99% - 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: FLAMMABLE LIQUID, N.O.S.* Hazard Class: 3 UN Number: 1993 Packing Group: II IMO Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3.2 UN Number: 1993 Packing Group: II RID/ADR Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3 UN Number: 1993 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: R 10 Flammable. Safety Phrases: S 16 Keep away from sources of ignition - No smoking. WGK (Water Danger/Protection) CAS# 20461-95-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 20461-95-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 20461-95-4 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: Irritant;
• 风险声明 (欧洲): 10-36/37/38
• 安全声明 (欧洲): 26-36
• 危险品运输编码: UN 3272 3/PG 3
• WGK德国: 3
• 包装等级: III
• 危险类别: 3.2
• 海关编码: 2930909090

合成路线

75-08-1 535-15-9 ~99% 20461-95-4

文献：Lissel, Manfred Liebigs Annalen der Chemie, 1982 , # 9 p. 1589 - 1601

137958-98-6 108-90-7 407-25-0 ~% 20461-95-4 详细

文献：Synthesis (Germany), , vol. 45, # 6 art. no. SS-2012-M0904-OP, p. 798 - 802

27807-75-6 75-08-1 ~% 20461-95-4

文献：Chemische Berichte, , vol. 89, p. 1912

上下游产品

上游产品  5
75-08-1 535-15-9 108-90-7 407-25-0
27807-75-6
下游产品  1
10490-06-9

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%