反-4-乙氧基肉桂酸乙酯

反-4-乙氧基肉桂酸乙酯 基本信息
CAS号 75332-46-6 分子式 C13H16O3
分子量 220.26400 精确质量  220.11000
PSA  35.53000 LogP  2.66160

基本信息 展开↓

CAS号:
75332-46-6
3D弹球模型:
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分子式:
C13H16O3
分子量:
220.26400
中文名称:
反-4-乙氧基肉桂酸乙酯
英文名称:
Ethyl (2E)-3-(4-ethoxyphenyl)acrylate
中文别名:
反-4-乙氧基肉桂酸乙酯;
反式-4-乙氧基肉桂酸乙酯
英文别名:
Ethyl (2E)-3-(4-ethoxyphenyl)acrylate;
ethyl (E)-4-bromo-2-methylbut-2-enoate;
4-bromo-2-methyl-but-2-enoic acid ethyl ester;
4-Aethoxy-trans-zimtsaeure-aethylester;
ethyl (E)-4-ethoxycinnamate;
4-ethoxy-trans-cinnamic acid ethyl ester;
2-Butenoic acid,4-bromo-2-methyl-,ethyl ester,(E);
ethyl 4-bromotiglate;
2-Butenoic acid,4-bromo-2-methyl-,ethyl ester,(Z);
4-bromo-2-methyl-trans-crotonic acid ethyl ester;
4-Brom-2-methyl-trans-crotonsaeure-aethylester;
ethyl trans-4-ethoxycinnamate
精确分子量/精确质量:
220.11000
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。
贝尔斯坦号/MDL:
MFCD02683512
EINECS:
216-130-8
PubChem:
24877589
InChI:
The Key: XFRWZVXVZIQXFI-JXMROGBWSA-N

物化性质展开↓

熔点:
38-42ºC(lit.)
闪点:
230 °F

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单

合成路线查看所有的合成路线

  • 10031-82-0

    4-乙氧基苯甲醛

  • +

  • 141-78-6

    乙酸乙酯

  • 75332-46-6

    反-4-乙氧基肉桂酸乙酯

  • 64-17-5

    乙醇

  • +

  • 2373-79-7

    4-乙氧基肉桂酸

  • 75332-46-6

    反-4-乙氧基肉桂酸乙酯

MSDS 展开↓

    Version 1.2
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        ETHYL TRANS-4-ETHOXYCINNAMATE, 97%    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Not hazardous according to Directive 67/548/EEC.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    ETHYL TRANS-4-ETHOXYCINNAMATE, 97% 1504-69-4 216-130-8 None
    Formula        C13H16O3    
    Molecular Weight 227,2700 AMU

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If breathing becomes difficult,
    call a physician.
    AFTER SKIN CONTACT
    In case of contact, immediately wash skin with soap and copious
    amounts of water.
    AFTER EYE CONTACT
    In case of contact with eyes, flush with copious amounts of
    water for at least 15 minutes. Assure adequate flushing by
    separating the eyelids with fingers. Call a physician.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    ALDRICH        www.molbase.com    
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    appropriate foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.

    6 - Accidental Release Measures

    METHODS FOR CLEANING UP
    Absorb on sand or vermiculite and place in closed containers for
    disposal. Ventilate area and wash spill site after material
    pickup is complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Avoid inhalation. Avoid contact
    with eyes, skin, and clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Safety shower and eye bath. Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Respiratory protection is not required. Where
    protection is desired, use multi-purpose combination (US) or type
    ABEK (EN 14387) respirator cartridges.
    Hand Protection: Protective gloves.
    Eye Protection: Chemical safety goggles.

    9 - Physical and Chemical Properties

    Appearance        Physical State: Liquid    
    Property        Value        At Temperature or Pressure    
    pH        N/A    
    BP/BP Range        N/A    
    MP/MP Range        38,000. - 42,000 °C.    
    Flash Point        110,000 °C        Method: closed cup    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties        N/A    
    Explosive Properties        N/A    
    Explosion Limits        N/A    
    ALDRICH        www.molbase.com    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    

    10 - Stability and Reactivity

    STABILITY
    Stable: Stable.
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    11 - Toxicological Information

    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    ROUTE OF EXPOSURE
    Skin Contact: May cause skin irritation.
    Skin Absorption: May be harmful if absorbed through the skin.
    Eye Contact: May cause eye irritation.
    Inhalation: Material may be irritating to mucous membranes and
    upper respiratory tract. May be harmful if inhaled.
    Ingestion: May be harmful if swallowed.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    Contact a licensed professional waste disposal service to dispose
    of this material. Dissolve or mix the material with a combustible
    solvent and burn in a chemical incinerator equipped with an
    afterburner and scrubber. Observe all federal, state, and local
    environmental regulations.

    14 - Transport Information

    RID/ADR
    Non-hazardous for road transport.
    IMDG
    ALDRICH        www.molbase.com    
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.

    15 - Regulatory Information

    Not hazardous according to Directive 67/548/EEC.
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    Self-Classification

    16 - Other Information

    WARRANTY
    The above information is believed to be correct but does not
    purport to be all inclusive and shall be used only as a guide. The
    information in this document is based on the present state of our
    knowledge and is applicable to the product with regard to
    appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Inc.,
    shall not be held liable for any damage resulting from handling or
    from contact with the above product. See reverse side of invoice
    or packing slip for additional terms and conditions of sale.
    Copyright 2010 Co. License granted to make
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.
    ALDRICH        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1、   摩尔折射率:64.49

2、   摩尔体积(m3/mol):207.4

3、   等张比容(90.2K):510.9

4、   表面张力(dyne/cm):36.8

5、   极化率:25.56

6、   介电常数:未确定

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