顺-二十碳五烯酸乙酯

顺-二十碳五烯酸乙酯 基本信息
CAS号 86227-47-6 分子式 C22H34O2
分子量 330.50400 精确质量  330.25600
PSA  26.30000 LogP  6.47120

基本信息 展开↓

CAS号:
86227-47-6
3D弹球模型:
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分子式:
C22H34O2
分子量:
330.50400
中文名称:
顺-二十碳五烯酸乙酯
英文名称:
ethyl (5Z,8Z,11Z,14Z,17Z)-icosapentaenoate
中文别名:
顺-二十碳五烯酸乙酯;
cis-5,8,11,14,17-二十碳五烯酸乙酯;
顺-5,8,11,14,17-十二碳五烯酸乙酯
英文别名:
ethyl (5Z,8Z,11Z,14Z,17Z)-icosapentaenoate;
Eicosapentaenoic Acid ethyl este;
CIS-5,8,11,14,17-EICOSAPENTAENOIC ACID ETHYL ESTER;
OMEGA-3-ACID ESTERS (EPA shown);
(Z,Z,Z,Z,Z)-5,8,11,14,17-EICOSAPENTAENOIC ACID ETHYL ESTER;
ALL CIS-5,8,11,14,17-EICOSAPENTAENOIC ACID ETHYL ESTER;
Ethyl all cis-5,8,11,14,17-Icosapentaenoate;
ALL CIS-5,8,11,14,17-EICOSAPENTANOIC ACID ETHYL ESTER;
Eicosapentaenoic Acid ethyl ester;
Eicosapentaenoic acid-D5 ethyl ester;
Ethyl all cis-5,8,11,14,17-Eicosapentaenoate
精确分子量/精确质量:
330.25600
极性分子表面积/PSA:
26.30000
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。
贝尔斯坦号/MDL:
MFCD00673476
InChI:
The Key: SSQPWTVBQMWLSZ-AAQCHOMXSA-N

物化性质展开↓

密度:
0.91 g/cm3
存储条件/存储方法:

冷藏

其它信息:

1.      性状:未确定

2.      密度(g/mL25 ºC):091

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(ºC0.35mmHg):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,):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(正辛醇/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:
2916190090
安全说明:
24/25

合成路线查看所有的合成路线

  • 10417-94-4

    全顺式二十碳五烯酸

  • +

  • 64-17-5

    乙醇

  • +

  • 105-58-8

    碳酸二乙酯

  • ~99%

  • 86227-47-6

    顺-二十碳五烯酸乙酯

  • 10417-94-4

    全顺式二十碳五烯酸

  • +

  • 64-17-5

    乙醇

  • +

  • 122-51-0

    原甲酸三乙酯

  • ~98%

  • 86227-47-6

    顺-二十碳五烯酸乙酯

  • 10417-94-4

    全顺式二十碳五烯酸

  • +

  • 64-17-5

    乙醇

  • ~64%

  • 86227-47-6

    顺-二十碳五烯酸乙酯

MSDS 展开↓

  Ethyl all cis-5,8,11,14,17-Eicosapentaenoate (stabilized Revision number: 6
  with Tocopherols)
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Ethyl all cis-5,8,11,14,17-Eicosapentaenoate (stabilized with Tocopherols)    
                  
  Revision number:        6    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None    
  Signal word        No signal word    
  Hazard statements        None    
  Precautionary statements:        None    

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
  Components:        Ethyl all cis-5,8,11,14,17-Eicosapentaenoate (stabilized with Tocopherols)    
    >65.0%(GC)
  Percent:
  CAS Number:        86227-47-6    
    all cis-5,8,11,14,17-Eicosapentaenoic Acid Ethyl Ester (stabilized with Tocopherols) ,
  Synonyms:
    EPA Ethyl Ester (stabilized with Tocopherols) , Ethyl all cis-5,8,11,14,17-
    Icosapentaenoate (stabilized with Tocopherols)
  Chemical Formula:        C22H34O2    

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. Rinse skin with    
    water/shower. 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, carbon dioxide.
  Suitable extinguishing
  media:
  Ethyl all cis-5,8,11,14,17-Eicosapentaenoate
  (stabilized with Tocopherols)

Section 5. FIRE-FIGHTING MEASURES
  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: 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
    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 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.

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. Wash hands and face thoroughly after
    handling.
    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
  Storage conditions:        Keep container tightly closed. Store in a refrigerator.    
    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
    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
  Respiratory protection: Vapor respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
  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    
    Colorless - Yellow
  Colour:
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
    No data available
  Boiling point/range:
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Ethyl all cis-5,8,11,14,17-Eicosapentaenoate
  (stabilized with Tocopherols)

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Relative density:        0.91    
  Solubility(ies):
  [Water]        No data available    
    No data available
  [Other solvents]

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  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:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  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
  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.
  Ethyl all cis-5,8,11,14,17-Eicosapentaenoate
  (stabilized with Tocopherols)


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2916190090

概述:
2916190090 其他不饱和无环一元羧酸(包括其酸酐、酰卤化物,过氧化物和过氧酸以及它们的衍生物)。监管条件:AB(入境货物通关单,出境货物通关单)。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, 丙烯酸、丙烯酸盐或酯应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。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↓

计算化学数据


1.疏水参数计算参考值(XlogP):6.3

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:15

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:24

8.表面电荷:0

9.复杂度:425

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:5

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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