54882-04-1

• 常用中文名：苯亚磺酰乙酸乙酯
• 常用英文名：Ethyl (phenylsulfinyl)acetate
• CAS号：54882-04-1
• 分子式：C₁₀H₁₂O₃S
• 分子量：212.266
• 发布时间：2018-05-18 08:00:00
• 更新时间：2024-01-09 13:54:02

名称

• 中文名: 苯亚磺酰乙酸乙酯
• 英文名: Ethyl Phenylsulfinylacetate
• 中文别名: 乙基 2-(苯基亚硫酰基<亚磺酰>)乙酸酯
• 英文别名: Acetic acid, 2-(phenylsulfinyl)-, ethyl ester; Ethyl (phenylsulfinyl)acetate; ethyl 2-(benzenesulfinyl)acetate

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 359.0±25.0 °C at 760 mmHg
• 分子式: C₁₀H₁₂O₃S
• 分子量: 212.266
• 闪点: 170.9±23.2 °C
• 精确质量: 212.050720
• PSA: 62.58000
• LogP: 1.26
• 外观性状: 液体;Light yellow to Yellow to Orange clear liquid
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.574
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  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:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积62.6

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:209

  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：未确定

  2. 密度（g/mL,20ºC）：1.21

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，3mm hg）：154

  7. 折射率：未确定

  8. 闪点（°C）：未确定

  9. 比旋光度（ºC）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,25ºC）：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：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

Ethyl Phenylsulfinylacetate Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Ethyl Phenylsulfinylacetate Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified Not classified HEALTH HAZARDS ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbolsNone No signal word Signal word Hazard statementsNone None Precautionary statements: Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:Ethyl Phenylsulfinylacetate Percent:>85.0%(GC) CAS Number:54882-04-1 Synonyms:Phenylsulfinylacetic Acid Ethyl Ester Chemical Formula:C10H12O3S Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Unsuitable extinguishing Solid streams of water media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Ethyl Phenylsulfinylacetate Section5. FIRE-FIGHTING MEASURES Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Wash hands and face thoroughly after handling. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Form:Clear Pale yellow - Yellow Colour: Odour:No data available pH: No data available Melting point/freezing point:No data available 154°C/0.4kPa Boiling point/range: Flash point:No data available Flammability or explosive limits: No data available Lower: Upper:No data available 1.21 Relative density: Solubility(ies): No data available [Water] [Other solvents]No data available Ethyl Phenylsulfinylacetate Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Sulfur oxides products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil No data available Log Pow: Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Does not correspond to the classification standard of the United Nations Hazards Class: UN-No:Not listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Ethyl Phenylsulfinylacetate SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 海关编码: 2930909090

合成路线

7605-25-6 ~96% 54882-04-1

文献：Tanikaga, Rikuhei; Nozaki, Yoshihito; Nishida, Masaharu; Kaji, Aritsune Bulletin of the Chemical Society of Japan, 1984 , vol. 57, # 3 p. 729 - 733

64-17-5 201230-82-2 31268-20-9 ~82% 54882-04-1

文献：Mollar, Cristian; Ramirez De Arellano, Carmen; Medio-Simon, Mercedes; Asensio, Gregorio Journal of Organic Chemistry, 2012 , vol. 77, # 21 p. 9693 - 9701,9 Title/Abstract Full Text Show Details Mollar, Cristian; Ramirez De Arellano, Carmen; Medio-Simon, Mercedes; Asensio, Gregorio Journal of Organic Chemistry, 2012 , vol. 77, # 21 p. 9693 - 9701

623-73-4 62076-10-2 ~41% 54882-04-1

文献：Guan, Xiao-Yu; Liu, Zhang-Qin; Huang, Hao-Xi; Yang, Li-Ping; Jian, Liao; Hu, Wen-Hao Synlett, 2009 , # 13 p. 2183 - 2187

7605-25-6 7722-84-1 64-19-7 ~% 54882-04-1

文献：Chemische Berichte, , vol. 43, p. 1407

7605-25-6 ~95% 7605-30-3 54882-04-1

文献：Bulletin of the Chemical Society of Japan, , vol. 69, # 10 p. 2955 - 2959

上下游产品

上游产品  6
7605-25-6 64-17-5 201230-82-2 623-73-4
7722-84-1 64-19-7
下游产品  6
7605-30-3 130409-81-3 7605-25-6 81912-04-1
108-98-5 918343-84-7

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%