5-(异丁烯酰基氧)甲基-1,3-氧硫杂环戊烷-2-硫酮

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学

5-(异丁烯酰基氧)甲基-1,3-氧硫杂环戊烷-2-硫酮 基本信息

中文名称:
5-(异丁烯酰基氧)甲基-1,3-氧硫杂环戊烷-2-硫酮 
中文别名:
5-(异丁烯酰氧基)甲基-1,3-氧硫杂环戊烷-2-硫酮;
5-(甲基丙烯酰氧基)甲基-1,3-氧硫杂环戊烷-2-硫酮;
5-(异丁烯酰基氧)甲基-1,3-氧硫杂环戊烷-2-硫酮 
英文名称:
2-Propenoic acid,2-methyl-, (2-thioxo-1,3-oxathiolan-5-yl)methyl ester
英文别名:
(2-sulfanylidene-1,3-oxathiolan-5-yl)methyl 2-methylprop-2-enoate;
5-(Methacryloyloxy)methyl-1,3-oxathiolane-2-thione;
M1473;
2-Thioxo-1,3-oxathiolan-5-ylmethyl Methacrylate 
CAS No.:
161196-23-2
分 子 式:
C8H10O3S2
分 子 量:
218.29
精确分子量:
218.00700
PSA:
92.92000
InChI:
InChI=1/C8H10O3S2/c1-5(2)7(9)10-3-6-4-13-8(12)11-6/h6H,1,3-4H2,2H3
风险术语:
R20/21/22
安全术语:
S45S36/S37/S39
分子结构式:
SDS:
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5-(异丁烯酰基氧)甲基-1,3-氧硫杂环戊烷-2-硫酮 物化性质

密度:
1.3g/cm3
沸点:
317.7ºC at 760 mmHg
闪点:
145.9ºC
折射率:
1.575
蒸汽压:
0.000379mmHg at 25°C
存储条件/存储方法:

保存方法: 冰箱内

5-(异丁烯酰基氧)甲基-1,3-氧硫杂环戊烷-2-硫酮 安全信息

海关代码:
2934999090
危险类别码:
R20/21/22
安全说明:
S36/37/39
安全标志:
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:

5-(异丁烯酰基氧)甲基-1,3-氧硫杂环戊烷-2-硫酮 MSDS


Section I.Chemical Product and Company Identification
    Chemical Name 5-(Methacryloyloxy)methyl-1,3-oxathiolane-2-thione
    Portland OR
    2-Propenoic acid, 2-methyl-, (2-thioxo-1,3-
    Synonym
    oxathiolan-5-yl)methyl ester (9CI)
    C8H10O3S2
    Chemical Formula
    CAS Number        161196-23-2    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    5-(Methacryloyloxy)methyl-1,3-oxathiolane-2-thione        161196-23-2        Min. 97.0 Not available.        Not available.    
    (GC)

Section III. Hazards Identification
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Acute Health Effects
    This material produces an irritating stench. Do not inhale and always use under a fume hood. Inhalation can result in
    inflammation of the respiratory system, headaches, nausea, and vomiting. Always cover all exposed skin with an
    impermeable layer and use proper eye protection. A OSHA/MSHA approved dust and vapor respirator is required when
    working with this material.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
    toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Auto-Ignition        Not available.    
    Flammability        May be combustible at high temperature.    
    Flash Points        Flammable Limits        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO2), sulfur oxides (SO2, SO3...).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    5-(Methacryloyloxy)methyl-1,3-oxathiolane-2-thione

Section VI.        Accidental Release Measures    
    Spill Cleanup        Stench material. Harmful material.    
    Use a shovel to put the material into a convenient waste disposal container. Consult federal, state, and/or local
    Instructions
    authorities for assistance on disposal.

Section VII. Handling and Storage
    STENCH. HARMFUL. REFRIGERATE. Keep away from heat. Mechanical exhaust required. When not in use, tightly
    Handling and Storage
    seal the container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult    
    a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solid. (Yellow Crystalline Powder.)        Solubility    
    Physical state @ 20°C        Not available.    
    Not available.
    Specific Gravity
    Molecular Weight        218.29        Partition Coefficient        Not available.    
    Boiling Point
    Not available.        Vapor Pressure        Not applicable.    
    Melting Point        Not available.        Vapor Density        Not available.    
    Refractive Index        Not available.        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Stench.    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities        Reactive with oxidizing agents.    

Section XI. Toxicological Information
    Not available.
    RTECS Number
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    Toxicity Data        Not available.    
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic Effects        Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.    
    This material produces an irritating stench. Do not inhale and always use under a fume hood. Inhalation can result in
    inflammation of the respiratory system, headaches, nausea, and vomiting. Always cover all exposed skin with an
    impermeable layer and use proper eye protection. A OSHA/MSHA approved dust and vapor respirator is required when
    working with this material.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    5-(Methacryloyloxy)methyl-1,3-oxathiolane-2-thione

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Not available.
    Environmental Fate

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification        DOT Class 9: Miscellaneous hazardous material.    
    PIN Number
    Proper Shipping Name
    Aviation regulated solid, n.o.s.
    Packing Group (PG)        Not available.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not available.    
    (Canada)
    EINECS Number (EEC)        Not available.    
    EEC Risk Statements        R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

5-(异丁烯酰基氧)甲基-1,3-氧硫杂环戊烷-2-硫酮 海关数据

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-(异丁烯酰基氧)甲基-1,3-氧硫杂环戊烷-2-硫酮 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):2.4

2.氢键供体数量:0

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积92.9

7.重原子数量:13

8.表面电荷:0

9.复杂度:250

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

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