4-乙酰氧基-3-甲氧基肉桂酸

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

4-乙酰氧基-3-甲氧基肉桂酸 基本信息

中文名称:
4-乙酰氧基-3-甲氧基肉桂酸 
中文别名:
4-乙酰氧基 -3-甲氧基肉桂酸;
4-乙酰氧基-3-甲氧基肉桂酸 
英文名称:
2-Propenoicacid, 3-[4-(acetyloxy)-3-methoxyphenyl]-
英文别名:
O-acetylferulic acid;
3-(4-acetoxy-3-methoxy-phenyl)-acrylic acid;
ACETYLFERULIC ACID;
O-Acetylferulic acid;
4-acetoxy-3-methoxy-cinnamic acid;
3-(4-acetoxy-3-methoxyphenyl)-2-propenoic acid;
trans-3-[4-acetyloxy-3-methoxyphenyl]-2-propenoic acid;
Ferulic acid acetate;
3-(4-Acetoxy-3-methoxyphenyl)acrylic acid;
RARECHEM AL BK 0061;
3-METHOXY-4-ACETOXYCINNAMIC ACID;
4-Acetoxy-2-methoxycinnamic;
(E)-3-(4-acetoxy-3-methoxyphenyl)acrylic acid;
4-ACETYLFERULIC ACID;
4-ACETOXY-3-METHOXYCINNAMIC ACID;
3-(4'-acetyloxy-3'-methoxyphenyl)-2-propenoic acid;
4-Acetyloxy-3-methoxycinnamic acid 
CAS No.:
2596-47-6
分 子 式:
C12H12O5
分 子 量:
236.23
精确分子量:
236.06800
PSA:
72.83000
MDL:
MFCD00014378
BRN:
2218026
InChI:
The Key: IHKNVZISLLDMOR-UHFFFAOYSA-N
风险术语:
R36/37/38;
安全术语:
S26; S36;
分子结构式:
SDS:
查看

4-乙酰氧基-3-甲氧基肉桂酸 物化性质

密度:
1.265g/cm3
熔点:
193-196°C
沸点:
371.9ºC at 760mmHg
闪点:
141.6ºC
折射率:
1.575
蒸汽压:
3.44E-06mmHg at 25°C
存储条件/存储方法:

密封于阴凉干燥环境。

稳定性相关:

如果遵照规格使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):193-196

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V): 无可用

19.    溶解性:无可用

4-乙酰氧基-3-甲氧基肉桂酸 安全信息

包装等级:
III
风险类别:
6.1
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39
危险标志:
T,Xi

4-乙酰氧基-3-甲氧基肉桂酸 毒理性

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

4-乙酰氧基-3-甲氧基肉桂酸 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 4-Acetoxy-3-methoxycinnamic acid    
    CAS-No.        : 2596-47-6    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Acute toxicity, Oral (Category 4)
    Eye irritation (Category 2)
    Respiratory sensitization (Category 1)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Harmful if swallowed. Irritating to eyes. May cause sensitization by skin contact.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H302        Harmful if swallowed.    
    H319        Causes serious eye irritation.    
    H334        May cause allergy or asthma symptoms or breathing difficulties if inhaled.    
    Precautionary statement(s)
    P261        Avoid breathing dust.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    P342 + P311        If experiencing respiratory symptoms: Call a POISON CENTER or doctor/    
    physician.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R22        Harmful if swallowed.    
    R36        Irritating to eyes.    
    R43        May cause sensitization by skin contact.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36/37        Wear suitable protective clothing and gloves.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C12H12O5    
    Molecular Weight        : 236,22 g/mol    
    Component        Concentration    
  4-Acetoxy-3-methoxycinnamic acid
    CAS-No.        2596-47-6        -    

Section 4. FIRST AID MEASURES
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end uses
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under
    appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
    level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
    Use respirators and components tested and approved under appropriate government standards
    such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- log Pow: 1,934
    octanol/water
    p) Autoignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
    May cause sensitization by inhalation.
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        Harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes        Causes serious eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Additional Information
    RTECS: Not available

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. 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.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-乙酰氧基-3-甲氧基肉桂酸 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:61.72

2、   摩尔体积(m3/mol):186.6

3、   等张比容(90.2K):490.2

4、   表面张力(dyne/cm):47.5

5、   极化率10-24cm3):24.47

计算化学数据

1、   疏水参数计算参考值(XlogP):1.6

2、   氢键供体数量:1

3、   氢键受体数量:5

4、   可旋转化学键数量:5

5、   拓扑分子极性表面积(TPSA):72.8

6、   重原子数量:17

7、   表面电荷:0

8、   复杂度:310

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:1

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

4-乙酰氧基-3-甲氧基肉桂酸 上游产品

4-乙酰氧基-3-甲氧基肉桂酸 下游产品

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产品介绍:
产品名称:3-(4-乙酰氧基-3-甲氧基苯基)丙烯酸 Cas号:2596-47-6 纯度:95% 包装信息:5gea,1gea,10gea 价格:45.0元 - 380.0元
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产品介绍:
产品名称:4-乙酰氧基-3-甲氧基肉桂酸 Cas号:2596-47-6 纯度: 包装信息:洽谈 价格:洽谈
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