2-(4-甲基苯氧基)乙醇乙酸酯

2-(4-甲基苯氧基)乙醇乙酸酯 基本信息
CAS号 6807-11-0 分子式 C11H14O3
分子量 194.22700 精确质量  194.09400
PSA  35.53000 LogP  1.93690

基本信息 展开↓

CAS号:
6807-11-0
3D弹球模型:
立即前往扯扯看
分子式:
C11H14O3
分子量:
194.22700
中文名称:
2-(4-甲基苯氧基)乙醇乙酸酯
英文名称:
4-(2-Acetoxyethoxy)toluene
中文别名:
2-(4-甲基苯氧基)乙醇乙酸酯;
2-对甲苯基乙氧基乙酸盐;
二乙酰甲苯;
4-(2-乙酰氧基乙氧基)甲苯;
乙二醇单对甲苯醚乙酸盐
英文别名:
4-(2-Acetoxyethoxy)toluene;
2-(4-methylphenoxy)ethyl acetate
精确分子量/精确质量:
194.09400
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。
EINECS:
229-881-1
InChI:
The Key: ZJMLZGKLUMJGSL-UHFFFAOYSA-N

物化性质展开↓

密度:
1.08
熔点:
94ºC / 2mmHg
沸点:
94ºC / 2mmHg
闪点:
106.2ºC
折射率:
1.496

安全信息展开↓

海关代码:
2915390090

化学图谱

  1. 二乙酰甲苯红外图谱(IR1)

  2. 二乙酰甲苯质谱(MS)

  3. 二乙酰甲苯核磁图(13CNMR)

上一页 1/4 下一页

MSDS 展开↓

  4-(2-Acetoxyethoxy)toluene      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        4-(2-Acetoxyethoxy)toluene    

  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
    None
  Pictograms or hazard symbols
  Signal word        No signal word    
    None
  Hazard statement
  Precautionary statements        None    

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        4-(2-Acetoxyethoxy)toluene    
  Percent:        >98.0%(GC)    
  CAS Number:        6807-11-0    
  Synonyms:        Acetic Acid 2-p-Tolyloxyethyl Ester , Ethylene Glycol Mono-p-tolyl Ether Acetate , 2-    
    p-Tolyloxyethyl Acetate
  Chemical Formula:        C11H14O3    

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.
  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, water spray, carbon dioxide.    
  media:
  Extinguishing media not to Solid streams of water
  be used:
  4-(2-Acetoxyethoxy)toluene

Section 5. FIRE-FIGHTING MEASURES
  Specific methods:        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
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapor or mist. Wash hands and face thoroughly after handling.
    Use a ventilation, local exhaust if vapor or aerosol will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.    
  Storage
    Keep container tightly closed. Store in a cool and dark place.
  Storage conditions:
    Store away from incompatible materials such as oxidizing agents.
    Law is followed.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. 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
  Physical state (20°C):        Liquid    
  Form:        clear    
  Color:        Colorless - Pale yellow    
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling Point/Range:        94 °C/0.3kPa    
  Flash Point:        No data available    
  Explosive limits
  Lower:        No data available    
  Upper:        No data available    
  Density:        1.08    
  Solubility:        No data available    

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
    No special reactivity has been reported.
  Reactivity:
  Incompartible materials: oxidizing agents
  4-(2-Acetoxyethoxy)toluene

Section 10. STABILITY AND REACTIVITY
  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:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity 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 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    
    Not Listed
  UN-No:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.
  4-(2-Acetoxyethoxy)toluene


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2915390090

概述:
2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 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M.进口商品检验N.出口商品检验
摘要/Summary:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. 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):2.1

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:14

8.表面电荷:0

9.复杂度:171

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

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便