3-巯基丙酸异丙酯

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学

3-巯基丙酸异丙酯 基本信息

中文名称:
3-巯基丙酸异丙酯 
中文别名:
3-巯基丙酸异丙酯;
Acetic acid, mercapto-, benzyl ester;
Acetic acid, mercapto-, phenylmethyl ester;
Benzyl sulfanylacetate;
Mercaptoacetic acid benzyl ester;
bisN,N'-Isophtaloyl bis caprolactam;
1,1-Isophthaloylbiscaprolactam;
1,1'-Isophthaloylbiscaprolactam;
Lauroyl isethionate, sodium salt;
Sodium 2-sulfoethyl laurate;
UNII-M590021Z02;
Dodecanoic acid, 2-sulfoethyl ester, sodium salt (1:1);
Lauric acid, ester with 2-hydroxyethanesulfonic acid sodium salt;
Sodiu 
英文名称:
3-MERCAPTOPROPIONIC ACID ISOPROPYL ESTER
英文别名:
Isopropyl 3-Mercaptopropionate;
propan-2-yl 3-sulfanylpropanoate 
CAS No.:
7383-64-4
分 子 式:
C6H12OS
分 子 量:
132.22
精确分子量:
132.06100
PSA:
42.37000
MDL:
MFCD00040066
InChI:
InChI=1/C6H12O2S/c1-5(2)8-6(7)3-4-9/h5,9H,3-4H2,1-2H3
风险术语:
36/37/38
分子结构式:
SDS:
查看

3-巯基丙酸异丙酯 制备方法及用途

制备方法

3-巯基丙酸异丙酯可以用来合成硫环化合物1) 。比如,3-巯基丙酸异丙酯和丙烯酸甲酯缩合得到四氢硫代吡喃酮1a) 这个可以用于合成 thienothiazepinone skelton1b) 和thiopyranopyrrole skelton.1c) 1还可以用作为自由基聚合的链转移剂.2)

用途简介

用途

3-巯基丙酸异丙酯可以用来合成硫环化合物1) 。比如,3-巯基丙酸异丙酯和丙烯酸甲酯缩合得到四氢硫代吡喃酮1a) 这个可以用于合成 thienothiazepinone skelton1b) 和thiopyranopyrrole skelton.1c) 1还可以用作为自由基聚合的链转移剂.2)

    

3-巯基丙酸异丙酯 物化性质

密度:
1.019g/cm3
沸点:
189.53ºC at 760 mmHg
闪点:
69.709ºC
折射率:
1.455
存储条件/存储方法:

密封于阴凉干燥环境。

稳定性相关:

如果遵照规格使用和储存则不会分解。

其它信息:

1.       性状:无色透明液体

2.       密度(g/mL,25/4℃): 无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa): 无可用

7.       折射率: 无可用

8.       闪点(ºC): 无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V): 无可用

19.    溶解性:无可用

3-巯基丙酸异丙酯 安全信息

海关代码:
2930909090
危险类别码:
36/37/38
安全说明:
26-36

3-巯基丙酸异丙酯 毒理性

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

3-巯基丙酸异丙酯 MSDS

  Isopropyl 3-Mercaptopropionate      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Isopropyl 3-Mercaptopropionate    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 4
  Flammable liquids
  HEALTH HAZARDS
    Category 2
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 2A    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Combustible liquid    
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements:
    Keep away from flames and hot surfaces.
  [Prevention]
    Wash hands thoroughly after handling.
    Wear protective gloves and eye/face protection.
  [Response]        IF IN EYES: 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.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.
  [Storage]        Store in a well-ventilated place. Keep cool.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Isopropyl 3-Mercaptopropionate    
  Percent:        >98.0%(GC)    
    7383-64-4
  CAS Number:
  Synonyms:        3-Mercaptopropionic Acid Isopropyl Ester    
  Isopropyl 3-Mercaptopropionate

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Chemical Formula:        C6H12O2S    

Section 4. 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. Gently wash with plenty of    
    soap and water. 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.
    Get medical advice/attention if you feel unwell. Rinse mouth.
  Ingestion:
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  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 protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  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.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
    case of a fire. Use spark-proof tools and explosion-proof equipment.
  hazards:

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Prevent generation of vapour or mist. Keep away from flames and hot surfaces. Take
    measures to prevent the build up of electrostatic charge. Use explosion-proof
    equipment. Wash hands and face thoroughly after handling.
    Use a closed system, ventilation.
  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, dark and well-ventilated place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    

Section 8. 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
  Isopropyl 3-Mercaptopropionate

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  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.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        Clear    
  Colour:        Colorless - Almost colorless    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
    Open flame
  Conditions to avoid:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Sulfur oxides
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
    No data available
  Crustacea:
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
  Soil adsorption (Koc):        No data available    
    No data available
  Henry's Law
  constant(PaM3/mol):
  Isopropyl 3-Mercaptopropionate

Section 13. 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.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not listed    

Section 15. 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.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-巯基丙酸异丙酯 海关数据

中国海关编码:2930909090

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
摘要/Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-巯基丙酸异丙酯 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:37.83

2、   摩尔体积(cm3/mol):139.0

3、   等张比容(90.2K):323.9

4、   表面张力(dyne/cm):29.4

5、   极化率(10-24cm3):14.99

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