(甲基亚磺酰)乙酸甲酯 | 52147-67-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (甲基亚磺酰)乙酸甲酯
• 中文别名: 甲基亚磺酰基乙酸甲酯
• 英文名称: methyl methylsulfinyl acetate
• 英文别名: methyl(methylsulfinyl)acetate；methyl methylsulfinylacetate；Methyl-methylsulfinylacetat；Methyl (methylsulphinyl)acetate；methyl 2-methylsulfinylacetate
• CAS: 52147-67-8
• 化学式: C₄H₈O₃S
• mdl: MFCD00002092
• 分子量: 136.172
• InChiKey: DWNQOKWDJKLVEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  62.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2930909090

SDS

Name:	Methyl(Methylsulfinyl)Acetate 96% Material Safety Data Sheet
Synonym:	None
CAS:	52147-67-8

Section 1 - Chemical Product MSDS Name:Methyl(Methylsulfinyl)Acetate 96% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
52147-67-8	Methyl (Methylsulfinyl)acetate	96%	257-691-9

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Stench.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Causes gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash mouth out with 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:
Treat symptomatically and supportively.

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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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use only in a chemical fume hood. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 52147-67-8: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: colorless
Odor: stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 103 - 104 deg C @ 2.50mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.2540g/cm3
Molecular Formula: C4H8O3S
Molecular Weight: 136.17

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 52147-67-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl (Methylsulfinyl)acetate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable gloves and eye/face
protection.
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# 52147-67-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 52147-67-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52147-67-8 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (甲基亚磺酰)乙酸甲酯 、 1,2,3,6,7,8-六氢芘 在 四氯化锡 、 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以74%的产率得到methyl (1,2,3,6,7,8-hexahydropyren-4-yl)(methylthio)acetate
  参考文献：
  名称：

  A convenient synthesis of cyclopenta[c,d]pyrene

  摘要：

  DOI：

  10.1021/jo00383a039
• 作为产物：
  描述：

  甲基硫代乙酸甲酯 在 双氧水 作用下， 以 水 为溶剂， 反应 0.08h， 以95%的产率得到(甲基亚磺酰)乙酸甲酯
  参考文献：
  名称：

  杂多钨锡酸酯作为Knoevenagel缩合，硫化物的选择性氧化和醛的氧化胺化的均相和非均相催化剂

  摘要：

  杂多钨锡酸锡K 11 H [P 2 W 18 O 68（HOSn IV OH）3 ]·20H 2 O（1）被用作Knoevenagel缩合反应的均相和非均相催化剂。通过（1）的静电接枝制备了新的Fe 3 O 4 @SiO 2 @CH 2（CH 2）2 NH 3 + [P 2 W 18 O 68（HOSn IV OH）3 ] 11-纳米催化剂。）在胺改性的二氧化硅包覆的磁性纳米粒子上。使用红外光谱（IR），扫描电子显微镜（SEM），透射电子显微镜（TEM），X射线粉末衍射（XRD），能量色散X射线分析（EDX）和交替梯度对新型可磁回收纳米催化剂进行了表征磁力计（AGFM）。结果表明，颗粒的形状大多为球形，平均尺寸约为<30 nm。研究了在水性介质中硫化物选择性氧化为亚砜和醛的氧化胺化反应中催化剂的催化活性。催化剂被重复使用至少五次而没有明显降低催化活性，并且催化剂的结构在循环后保持不变。

  DOI：

  10.1039/c7ra06112a

文献信息

• Self-Catalyzed Oxidation of Sulfides with Hydrogen Peroxide: A Green and Practical Process for the Synthesis of Sulfoxides
  作者：Feng Shi、Man Kin Tse、Hanns Martin Kaiser、Matthias Beller

  DOI：10.1002/adsc.200700206

  日期：2007.11.5

  A self-catalyzed selective oxidation of sulfides to sulfoxides has been developed. The scope of the protocol is demonstrated in the selective oxidation of 17 different substrates. High yields and chemoselectivity (in general >90 %) are achieved in most cases.

  已经开发出自催化的硫化物选择性氧化为亚砜的方法。该协议的范围在17种不同底物的选择性氧化中得到了证明。在大多数情况下，可实现高收率和化学选择性（通常> 90％）。
• Heteropolytungstostannate as a homo- and heterogeneous catalyst for Knoevenagel condensations, selective oxidation of sulfides and oxidative amination of aldehydes
  作者：Roushan Khoshnavazi、Leila Bahrami、Manuchehr Rezaei

  DOI：10.1039/c7ra06112a

  日期：——

  particles are mostly spherical in shape and have an average size of approximately <30 nm. The catalytic activity of the catalyst was investigated in the selective oxidation of sulfides to sulfoxides and oxidative amination of aldehydes in an aqueous medium. The catalyst was reused at least five times without significant decrease in catalytic activities, and the structure of the catalyst remained unchanged

  杂多钨锡酸锡K 11 H [P 2 W 18 O 68（HOSn IV OH）3 ]·20H 2 O（1）被用作Knoevenagel缩合反应的均相和非均相催化剂。通过（1）的静电接枝制备了新的Fe 3 O 4 @SiO 2 @CH 2（CH 2）2 NH 3 + [P 2 W 18 O 68（HOSn IV OH）3 ] 11-纳米催化剂。）在胺改性的二氧化硅包覆的磁性纳米粒子上。使用红外光谱（IR），扫描电子显微镜（SEM），透射电子显微镜（TEM），X射线粉末衍射（XRD），能量色散X射线分析（EDX）和交替梯度对新型可磁回收纳米催化剂进行了表征磁力计（AGFM）。结果表明，颗粒的形状大多为球形，平均尺寸约为<30 nm。研究了在水性介质中硫化物选择性氧化为亚砜和醛的氧化胺化反应中催化剂的催化活性。催化剂被重复使用至少五次而没有明显降低催化活性，并且催化剂的结构在循环后保持不变。
• Wladislaw, B.; Marzorati, L.; Gruber, J., Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 47, # 1+2, p. 21 - 26
  作者：Wladislaw, B.、Marzorati, L.、Gruber, J.

  DOI：——

  日期：——
• Reactions of N-sulfinylamides with sulfoxides bearing electronegative substituents
  作者：Toru Minami、Yutaka Tsumori、Kikuo Yoshida、Toshio Agawa

  DOI：10.1021/jo00937a024

  日期：1974.11
• New synthetic reactions. Allylic alkylation
  作者：Barry M. Trost、Terry J. Fullerton

  DOI：10.1021/ja00782a080

  日期：1973.1

表征谱图