咖啡酸苯乙酯

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

咖啡酸苯乙酯 基本信息

中文名称:
咖啡酸苯乙酯 
中文别名:
咖啡酸苯乙酯;
咖啡酸β-苯乙醇酯 
英文名称:
Phenethyl caffeate
英文别名:
phenethyl caffeate;
Phenethyl 3-(3,4-dihydroxyphenyl)acrylate;
Caffeic Acid Phenethyl Ester;
Phenethyl 3,4-Dihydroxycinnamate;
Caffeic acid phenethyl ester;
Phenethyl Caffeate;
3,4-Dihydroxycinnamic Acid Phenethyl Ester;
Phenethyl caffeate 
CAS No.:
104594-70-9
分 子 式:
C17H16O4
分 子 量:
284.31
精确分子量:
284.10500
PSA:
66.76000
MDL:
MFCD00866470
InChI:
The Key: SWUARLUWKZWEBQ-VQHVLOKHSA-N
危险品标志:
IrritantXi
风险术语:
R36/37/38
安全术语:
S26;S36;
分子结构式:
SDS:
查看

咖啡酸苯乙酯 制备方法及用途

制备方法

在蜂胶众多的功效成分中,咖啡酸苯乙酉旨(caffeicacidphenethylester,CAPE)已经被鉴定为蜂胶中的主要活性组分之一,蜂胶的许多生物学活性均与CPAE有关。同时它还具有抗炎和抗肿瘤的作用,是医药的重要原料和中间体。

用途简介

咖啡酸苯乙酯 物化性质

密度:
1.266 g/cm3
沸点:
498.6ºC at 760 mmHg
闪点:
185.1ºC
折射率:
1.645
蒸汽压:
1.45E-10mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。冷藏温度为-20ºC。

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。

其它信息:

 

咖啡酸苯乙酯 安全信息

海关代码:
2918290000
危险类别码:
R36/37/38
安全说明:
S26-S36
RTECS号:
UD3334375
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi: Irritant;

咖啡酸苯乙酯 MSDS

  Phenethyl Caffeate      Revision number: 5.3    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Phenethyl Caffeate    
    
  Revision number:        5.3    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Skin corrosion/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Causes skin irritation    
    Causes serious eye irritation
  Precautionary statements:
    Wash hands thoroughly after handling.
  [Prevention]
    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: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Phenethyl Caffeate    
  Percent:        >98.0%(HPLC)    
  CAS Number:        104594-70-9    
  Synonyms:        Caffeic Acid Phenethyl Ester , Phenethyl 3,4-Dihydroxycinnamate , 3,4-    
    Dihydroxycinnamic Acid Phenethyl Ester , CAPE
  Chemical Formula:        C17H16O4    
  Phenethyl Caffeate

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

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  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
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: 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 dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust 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 freezer.    
    Store away from incompatible materials such as oxidizing agents.
    Heat-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: Dust 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):        Solid    
  Form:        Crystal- Powder    
    White - Pale yellow
  Colour:
  Phenethyl Caffeate

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:129°C
  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:
  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: dni-hmn-hla 5 umol/L
    dnd-hmn-lym 0.5 umol/L/18H
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
  RTECS Number:        UD3334375    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  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 dissolve or mix material
    with a 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 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  Phenethyl Caffeate

Section 14. TRANSPORT INFORMATION
  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

咖啡酸苯乙酯 海关数据

中国海关编码:2918290000

概述:
2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。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
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
摘要/Summary:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

咖啡酸苯乙酯 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:81.43

2、摩尔体积(cm3/mol):224.4

3、等张比容(90.2K):616.7

4、表面张力(dyne/cm):56.9

5、介电常数:无可用的

6、极化率(10-24cm3):32.28

7、单一同位素质量:284.104859 Da

8、标称质量:284 Da

9、平均质量:284.3065 Da

计算化学数据

1、   疏水参数计算参考值(XlogP):4.2

2、   氢键供体数量:2

3、   氢键受体数量:4

4、   可旋转化学键数量:6

5、   互变异构体数量:10

6、   拓扑分子极性表面积(TPSA):66.8

7、   重原子数量:21

8、   表面电荷:0

9、   复杂度:347

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

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