4324-38-3 (3-乙氧基丙酸,3-Ethoxypropanoic acid)

CAS号:
4324-38-3
中文名称:
3-乙氧基丙酸
英文名称:
3-Ethoxypropanoic acid
分子式:
C5H10O3
分子量:
118.131102085114

3-乙氧基丙酸(4324-38-3)名称与标识符

名称

中文别名:
3-乙氧基丙酸;3-Ethoxypropionic Acid 3-乙氧基丙酸;Β-乙氧基丙酸;O-乙基羟基丙酸;
英文别名:
3-Ethoxypropanoic acid;3-Ethoxypropionic Acid;3-ethoxy-propionic acid;Ethoxypropionicacid;O-Aethyl-hydracrylsaeure;O-ETHYLHYDRACRYLIC ACID;Propanoic acid,3-ethoxy;RARECHEM AL BO 0166;EN300-64537;ALBB-022360;NSC 8118;3-Ethoxypropanoic acid #;3-Ethoxypropanoicacid;MFCD00058997;SCHEMBL27523;InChI=1/C5H10O3/c1-2-8-4-3-5(6)7/h2-4H2,1H3,(H,6,7);FS-4045;4324-38-3;E0053;DB-252464;1331-11-9;Propionic acid, ethoxy-;NSC-16879;PROPANOIC ACID, 3-ETHOXY-;Z316258938;F11739;NS00045828;DTXSID70863366;NSC16879;CS-0216898;NSC8118;AI3-52370;JRXXEXVXTFEBIY-UHFFFAOYSA-;.beta.-Ethoxypropionic acid;AKOS000183015;NSC 16879;EINECS 224-357-9;NSC-8118;

标识符

MDL:
MFCD00058997
InChIKey:
JRXXEXVXTFEBIY-UHFFFAOYSA-N
Inchi:
1S/C5H10O3/c1-2-8-4-3-5(6)7/h2-4H2,1H3,(H,6,7)
SMILES:
O(CC)CCC(=O)O

3-乙氧基丙酸(4324-38-3)物化性质

实验特性

  • LogP : 0.49760
  • PSA : 46.53000
  • 折射率 : 1.4200 to 1.4220
  • 沸点 : 203.0±23.0 °C at 760 mmHg
  • 熔点 : No data available
  • 蒸气压 : 0.1±0.8 mmHg at 25°C
  • 闪点 : 83.5±16.1 °C
  • 颜色与性状 : 无色液体
  • 溶解性 : 溶于水
  • 密度 : 1,05 g/cm3

计算特性

  • 精确分子量 : 118.06300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 同位素质量 : 118.062994177g/mol
  • 重原子数量 : 8
  • 复杂度 : 70.1
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.1
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 46.5

3-乙氧基丙酸(4324-38-3)安全信息

3-乙氧基丙酸(4324-38-3)生产方法和用途

用途:
用于有机合成。

3-乙氧基丙酸(4324-38-3)上下游

3-乙氧基丙酸(4324-38-3)相关文献

  • 1. 119. The Fischer indole synthesis. Part III. The cyclisation of the phenylhydrazones of some 2-substituted cyclohexanones
    K. H. Pausacker J. Chem. Soc. 1950 621
  • 2. Oximate anion as a powerful neighbouring group towards saturated carbon
    R. J. MacConaill,F. L. Scott J. Chem. Soc. C 1971 584
  • 3. 399. Experiments on a synthesis of penicillin
    J. W. Cornforth,H. T. Huang J. Chem. Soc. 1948 1964

3-乙氧基丙酸(4324-38-3)参考资料

Reaxys RN:
1744864
Beilstein:
E156172
PubChem CID:

3-乙氧基丙酸(4324-38-3) MSDS

基础信息

  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