巴豆酸叔丁酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

巴豆酸叔丁酯 基本信息

中文名称:
巴豆酸叔丁酯 
中文别名:
巴豆酸叔丁酯;
tert-Butyl (E)-2-butenoate (E)-Crotonic acid tert-butyl ester 
英文名称:
2-Butenoic acid,1,1-dimethylethyl ester, (2E)-
英文别名:
tert-Butyl Crotonate;
(E)-tert-Butyl crotonate;
(E)-tert-butyl but-2-enoate;
2-butenoic acid t-butyl ester;
Carbonochloridothioicacid,S-(1,1-dimethylethyl) ester;
t-butyl chlorothioformate;
S-t-butyl chlorothioformate;
tert-butyl (E)-but-2-enoate;
S-tert-butyl chlorothioformate;
Thiokohlensaeurechlorid-S-(tert.-butylester);
S-tert-butyl carbonochloridothioate;
t-butyl chlorothiolformate;
1,1-dimethylethylthiocarbonyl chloride;
tert-butyl (E)-2-butenoate;
t-butyl crotonate;
tert-butyl (E)-crotonate 
CAS No.:
79218-15-8
分 子 式:
C8H14O2
分 子 量:
142.20
精确分子量:
142.09900
PSA:
26.30000
InChI:
The Key: QHSPZGZEUDEIQM-AATRIKPKSA-N
风险术语:
10-41
分子结构式:
SDS:
查看

巴豆酸叔丁酯 物化性质

密度:
0.89 g/cm3
沸点:
82ºC / 97mmHg
闪点:
23ºC
折射率:
n20/D 1.425
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。储存的地方必须远离氧化剂。远离火源,热。

稳定性相关:

远离氧化物

其它信息:

1.       性状:无色或者浅黄色透明液体。

2.       密度(g/mL,25/4):0.89

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,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):23

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(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

巴豆酸叔丁酯 安全信息

危险类别码:
10
安全说明:
16

巴豆酸叔丁酯 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。

巴豆酸叔丁酯 MSDS

  tert-Butyl Crotonate      Revision number: 6    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        tert-Butyl Crotonate    
    
  Revision number:        6    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 3
  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        Flammable liquid and vapour    
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements:
    Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
  [Prevention]
    Keep container tightly closed.
    Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
    measures against ignition by the static discharge and the spark.
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    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.
  tert-Butyl Crotonate

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        tert-Butyl Crotonate    
  Percent:        >98.0%(GC)    
  CAS Number:        79218-15-8    
  Synonyms:        Crotonic Acid tert-Butyl Ester    
  Chemical Formula:        C8H14O2    

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    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.
  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.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.    
  media:
  Unsuitable extinguishing Water (It may scatter and spread fire.)
  media:
  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: Keep containers cool by
    spraying with water. Eliminate all ignition sources 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
    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 dry sand or inert absorbent before recovering it into an
  containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected 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
  hazards:        case of a fire. Use spark-proof tools and explosion-proof equipment.    

Section 7. 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. Keep away from heat/sparks/open flame/hot
    surfaces. -No smoking. 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 if possible. 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
    Keep container tightly closed. Store in an explosion-poof refregerator.
  Storage conditions:
  tert-Butyl Crotonate

Section 7. HANDLING AND STORAGE
    Store under inert gas.
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive, Air-sensitive
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. 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.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Liquid
  Physical state (20°C):
  Form:        Clear    
  Colour:        Colorless - Very pale yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        82°C/13kPa    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        0.89    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    
  Log Pow:        2.09    

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

Section 11. TOXICOLOGICAL INFORMATION
    No data available
  Acute Toxicity:
  Skin corrosion/irritation: No data available
    No data available
  Serious eye
  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:
    No data available
  Fish:
  Crustacea:        No data available    
  tert-Butyl Crotonate

Section 12. ECOLOGICAL INFORMATION
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
    2.09
  Log Pow:
  Soil adsorption (Koc):        No data available    
    No data available
  Henry's Law
  constant(PaM3/mol):

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
    3: Flammable liquid.
  Hazards Class:
  UN-No:        3272    
    Esters, n.o.s.
  Proper shipping name:
  Packing group:        III    

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

巴豆酸叔丁酯 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):1.9

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:10

8.表面电荷:0

9.复杂度:140

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:1

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

巴豆酸叔丁酯 表征图谱

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武汉琼格生物科技有限公司

产品介绍:
产品名称:巴豆酸叔丁酯 Cas号:79218-15-8 纯度:>98.0%(GC) 包装信息:25ml,25ml,25ml,25ml,25ml 价格:2,330.0元 - 2,330.0元
联系方式:
联系人:时燕 电话:027-84235681 手机:13657207535