5764-85-2 (3-羟基-3-丙酸乙酯,Ethyl 3-hydroxy-3-phenylpropanoate)

CAS号:
5764-85-2
中文名称:
3-羟基-3-丙酸乙酯
英文名称:
Ethyl 3-hydroxy-3-phenylpropanoate
分子式:
C11H14O3
分子量:
194.227063655853

3-羟基-3-丙酸乙酯(5764-85-2)名称与标识符

名称

中文别名:
3-羟基-3-苯基丙酸乙酯;[6-(4-三氟甲基苯基)-3-吡啶基]甲醇;3-羟基-3-苯丙酸乙酯;beta-羟基苯丙酸乙酯;β-羟基苯丙酸乙酯;3-羟基-3-丙酸乙酯;
英文别名:
Ethyl 3-hydroxy-3-phenylpropanoate;3-Hydroxy-3-phenyl-propionicacidethylester;Benzenepropanoic acid, b-hydroxy-, ethyl ester;ETHYL-3-HYDROXY-3-PHENYL PROPIONATE;Hydracrylicacid, 3-phenyl-, ethyl ester (6CI,7CI,8CI);(?à)-3-Hydroxy-3-phenylpropionic acid ethyl ester;3-Hydroxy-3-phenylpropionic acid ethyl ester;Ethyl 3-hydroxy-3-phenylpropionate;Ethyl3-phenyl-3-hydroxypropionate;Ethyl 3-phenylhydracrylate;NSC 226071;b-Hydroxybenzenepropanoic acidethyl ester;(±)-3-Hydroxy-3-phenylpropionic acid ethyl ester;Ethyl3-hydroxy-3-phenylpropanoate;Hydracrylic acid, 3-phenyl-, ethyl ester;3-hydroxy-3-phenyl-propionic acid ethyl ester;DVIBDQWVFHDBOP-UHFFFAOYSA-N;Benzenepropanoic acid, .beta.-hydroxy-, ethyl ester;(R)-Ethyl 3-hydroxy-3-phenylpropanoate;ethyl 3-hydroxy-3-phenyl-propanoate;(S)-Ethyl3-Hydroxy-3-phenylpropanoate;EIN;

标识符

MDL:
MFCD00086891
InChIKey:
DVIBDQWVFHDBOP-UHFFFAOYSA-N
Inchi:
1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
SMILES:
CCOC(CC(C1C=CC=CC=1)O)=O

3-羟基-3-丙酸乙酯(5764-85-2)物化性质

实验特性

  • LogP : 1.67320
  • PSA : 46.53000
  • 折射率 : 1.5080
  • 沸点 : 315.3°C at 760 mmHg
  • 闪点 : 132.6℃
  • 密度 : 1.119

计算特性

  • 精确分子量 : 194.09400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 5
  • 同位素质量 : 194.094
  • 重原子数量 : 14
  • 复杂度 : 173
  • 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 : 1
  • 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) : 1.3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 46.5

3-羟基-3-丙酸乙酯(5764-85-2)安全信息

3-羟基-3-丙酸乙酯(5764-85-2)国际标准相关数据

EINECS:
227-288-2

3-羟基-3-丙酸乙酯(5764-85-2)海关数据

海关编码:
2918199090
海关数据:

中国海关编码:

2918199090

概述:

HS: 2918199090. 其他含醇基但不含其他含氧基羧酸(包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 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

Summary:

2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

3-羟基-3-丙酸乙酯(5764-85-2)相关文献

3-羟基-3-丙酸乙酯(5764-85-2) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      Ethyl 3-hydroxy-3-phenylpropanoate    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        Ethyl 3-hydroxy-3-phenylpropanoate    
    CAS number:        5764-85-2    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C11H14O3    
    Molecular weight:        194.2    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A