3-乙氧基丙酸

3-乙氧基丙酸 基本信息
CAS号 4324-38-3 分子式 C5H10O3
分子量 118.13100 精确质量 　118.06300
PSA 　46.53000 LogP 　0.49760
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
4324-38-3
3D弹球模型：
立即前往扯扯看
分子式：
C5H10O3
分子量：
118.13100
中文名称：
3-乙氧基丙酸
英文名称：
3-Ethoxypropionic Acid
中文别名：
3-乙氧基丙酸;
Β-乙氧基丙酸
英文别名：
3-Ethoxypropionic Acid;
O-ETHYLHYDRACRYLIC ACID;
3-ethoxy-propionic acid;
RARECHEM AL BO 0166;
Ethoxypropionicacid;
3-Ethoxypropanoic acid;
O-Ethylhydracrylic Acid;
Propanoic acid,3-ethoxy;
O-Aethyl-hydracrylsaeure
精确分子量/精确质量：
118.06300
极性分子表面积/PSA：
46.53000
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：
224-357-9
InChI：
The Key: JRXXEXVXTFEBIY-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法

用于有机合成。

用途简介

用途

用于有机合成。

物化性质展开↓

密度：
1.054g/cm3
沸点：
203ºC at 760 mmHg
闪点：
83.5ºC
折射率：
1.422
蒸汽压：
0.117mmHg at 25°C
存储条件/存储方法：

本品应密封于阴凉干燥处保存。

稳定性相关：

常温常压下稳定，无色液体。溶于水。相对密度1.0508。沸点119℃（2.53kPa）。折光率1.4211。闪点＞112℃ 。

其它信息：

1.       性状：无色液体

2.       密度（g/mL）：1.0508

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：不确定

5.       沸点（ºC）：不确定

6.       沸点（ºC, 2.53kpa）：119

7.       折射率：1.4211

8.       闪点（ºC）：＞112

9.       比旋光度（º, C=4, H2O）：不确定

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：溶于水

安全信息展开↓

包装等级：
III
风险类别：
6.1(b)
危险类别码：
34
安全说明：
26-36/37/39
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。
:

合成路线查看所有的合成路线

  • 55320-25-7

    1-乙氧基-3-庚烯

  • →

  • 4324-38-3

    3-乙氧基丙酸

  • +

  • 107-92-6

    丁酸

  • 872804-11-0

    8-ethoxy-3-(2-ethoxy-ethyl)-octa-1,5-diene

  • →

  • 64-18-6

    Formic acid

  • +

  • 4324-38-3

    3-乙氧基丙酸

  • 64-17-5

    乙醇

  • +

  • 140-88-5

    丙烯酸乙酯

  • →

  • 4324-38-3

    3-乙氧基丙酸

化学图谱

  1. 3-乙氧基丙酸红外图谱(IR1)

  2. 3-乙氧基丙酸红外图谱(IR2)

  3. 3-乙氧基丙酸质谱(MS)

  4. 3-乙氧基丙酸核磁图(13CNMR)

  5. 3-乙氧基丙酸Raman光谱

  6. 3-乙氧基丙酸核磁图(1HNMR)

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毒理性展开↓

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

MSDS 展开↓

  3-Ethoxypropionic Acid      Revision number: 5    
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        3-Ethoxypropionic Acid    
    
  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 4
  Flammable liquids
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
    None
  Pictograms or hazard symbols
  Signal word        Warning    
    Combustible liquid
  Hazard statements
  Precautionary statements:
    Keep away from flames and hot surfaces.
  [Prevention]
    Wear protective gloves and eye/face protection.
    Store in a well-ventilated place. Keep cool.
  [Storage]
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        3-Ethoxypropionic Acid    
    >98.0%(T)
  Percent:
  CAS Number:        4324-38-3    
    O-Ethylhydracrylic Acid
  Synonyms:
  Chemical Formula:        C5H10O3    
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.
  3-Ethoxypropionic Acid
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Unsuitable extinguishing Solid streams of water
  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.
  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 flames and hot surfaces. 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, ventilation.
  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 cool, dark and well-ventilated place.    
    Store away from incompatible materials such as oxidizing agents.
    Comply with laws.
  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.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
    Clear
  Form:
  Colour:        Colorless - Almost colorless    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        219°C    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  3-Ethoxypropionic Acid
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        1.05    
  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:
  Conditions to avoid:        Open flame    
  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    
    No data available
  NTP =
  Reproductive toxicity:        No data available    
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.
  3-Ethoxypropionic Acid

SECTION 16 - ADDITIONAL INFORMATION
N/A

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：28.52

2、   摩尔体积（m3/mol）：112.0

3、   等张比容（90.2K）：272.5

4、   表面张力（dyne/cm）：34.9

5、   极化率（10-24cm3）：11.30

计算化学数据

1、   疏水参数计算参考值（XlogP）：-0.1

2、   氢键供体数量：1

3、   氢键受体数量：3

4、   可旋转化学键数量：4

5、   拓扑分子极性表面积（TPSA）：46.5

6、   重原子数量：8

7、   表面电荷：0

8、   复杂度：70.1

9、   同位素原子数量：0

10、   确定原子立构中心数量：0

11、   不确定原子立构中心数量：0

12、   确定化学键立构中心数量：0

13、   不确定化学键立构中心数量：0

14、   共价键单元数量：1

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