碳酸丙烯乙酯

碳酸丙烯乙酯 基本信息
CAS号 1469-70-1 分子式 C6H10O3
分子量 130.14200 精确质量  130.06300
PSA  35.53000 LogP  1.34550

基本信息 展开↓

CAS号:
1469-70-1
3D弹球模型:
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分子式:
C6H10O3
分子量:
130.14200
中文名称:
碳酸丙烯乙酯
英文名称:
Allyl Ethyl Carbonate
中文别名:
碳酸丙烯乙酯;
碳酸烯丙基乙酯;
烯丙基乙基碳酸酯
英文别名:
Allyl Ethyl Carbonate;
Carbonic Acid Allyl Ethyl Ester;
ethyl prop-2-enyl carbonate
精确分子量/精确质量:
130.06300
极性分子表面积/PSA:
35.53000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: BGSFCOHRQUBESL-UHFFFAOYSA-N

物化性质展开↓

密度:
0.982 g/cm3
沸点:
132.7ºC at 760 mmHg
闪点:
45.6ºC
折射率:
1.413
蒸汽压:
8.75mmHg at 25°C
存储条件/存储方法:

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

 

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

其它信息:

1.       性状:未确定。

2.       密度(g/mL,25/4): 0.99

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):149

6.       沸点(ºC,5.2kPa): 未确定

7.       折射率: 未确定

8.       闪点(ºC): 未确定

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

安全信息展开↓

海关代码:
2920909090
危险类别码:
R10
安全说明:
16
安全标志:
S16:远离火源。

合成路线查看所有的合成路线

  • 541-41-3

    氯甲酸乙酯

  • +

  • 107-18-6

    烯丙醇

  • ~92%

  • 1469-70-1

    碳酸丙烯乙酯

  • 124-38-9

    二氧化碳

  • +

  • 121-44-8

    三乙胺

  • +

  • 107-18-6

    烯丙醇

  • ~19%

  • 15022-08-9

    碳酸二稀丙酯

  • +

  • 3553-80-8

    ethyl N,N-diethylcarbamate

  • 124-38-9

    二氧化碳

  • +

  • 107-18-6

    烯丙醇

  • ~18%

  • 15022-08-9

    碳酸二稀丙酯

  • +

  • 3553-80-8

    ethyl N,N-diethylcarbamate

化学图谱

  1. 碳酸丙烯乙酯红外图谱(IR1)

  2. 碳酸丙烯乙酯质谱(MS)

  3. 碳酸丙烯乙酯核磁图(13CNMR)

  4. 碳酸丙烯乙酯核磁图(1HNMR)

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毒理性展开↓

生态数据:

对是水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。

MSDS 展开↓

  Allyl Ethyl Carbonate      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Allyl Ethyl Carbonate    
    
  Revision number:        5    

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.
  Allyl Ethyl Carbonate

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Allyl Ethyl Carbonate    
  Percent:        >97.0%(GC)    
  CAS Number:        1469-70-1    
  Synonyms:        Carbonic Acid Allyl Ethyl Ester    
  Chemical Formula:        C6H10O3    

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 a cool, dark and well-ventilated place.
  Storage conditions:
  Allyl Ethyl Carbonate

Section 7. HANDLING AND STORAGE
    Store away from incompatible materials such as oxidizing agents.
  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 - Almost colorless    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        149°C    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        0.99    
  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:
    Spark, Open flame, Static discharge
  Conditions to avoid:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide
  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
  Allyl Ethyl Carbonate

Section 12. ECOLOGICAL INFORMATION
  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):

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

海关数据查看详细

中国海关编码:2920909090

概述:
2920909090 其他无机酸酯(不包括卤化氢的酯)(包括其盐及它们的卤化,磺化,硝化和亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。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:
2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:33.09

2、   摩尔体积(m3/mol):132.5

3、   等张比容(90.2K):304.2

4、   表面张力(dyne/cm):27.7

5、   极化率10-24cm3):13.11

计算化学数据


1.疏水参数计算参考值(XlogP):1.5

2.氢键供体数量:0

3.氢键受体数量:3

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35.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:98.5

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: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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