4-甲氧基肉桂醛

4-甲氧基肉桂醛 基本信息
CAS号 1963-36-6 分子式 C10H10O2
分子量 162.18500 精确质量  162.06800
PSA  26.30000 LogP  1.90730

等价的CAS号:

1963-36-6,24680-50-0,71277-11-7

基本信息 展开↓

CAS号:
1963-36-6
3D弹球模型:
立即前往扯扯看
分子式:
C10H10O2
分子量:
162.18500
中文名称:
4-甲氧基肉桂醛
英文名称:
p-Methoxycinnamic aldehyde
中文别名:
4-甲氧基肉桂醛;
3-(4-甲氧基苯基)-2-丙烯醛;
4-甲氧基肉桂苯醛
英文别名:
p-Methoxycinnamic aldehyde;
Einecs 217-807-0;
3-p-methoxyphenyl-2-propenal;
trans-4-Methoxycinnamaldehyde;
Fema no. 3567;
3-(4-Methoxyphenyl)-2-propenal;
trans-4-methoxycinnamaldehyde;
4-Methoxycinnamaldehyde;
4-Methoxybenzenepropenal;
p-Methoxycinnamaldehyde;
4-Methoxybenzeneacrolein;
para-methoxycinnamaldehyde;
4-Methoxyciamaldehyde;
Methoxycinnamaldehyde,p
精确分子量/精确质量:
162.06800
极性分子表面积/PSA:
26.30000
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:
217-807-0
InChI:
InChI=1/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+

生产制备方法及用途展开↓

制备方法


对甲氧基肉桂醛是食品用香精。

用途简介


物化性质展开↓

密度:
1.068g/cm3
熔点:
55-60ºC(lit.)
沸点:
145ºC7mm Hg(lit.)
闪点:
146.5ºC
折射率:
1.559
蒸汽压:
0.00067mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

        

其它信息:

1.       性状:粉末

2.       密度(g/mL,20ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):55-60

5.       沸点(ºC):未确定

6.       沸点(ºC7mmHg):145

7.       折射率:未确定

8.       闪点(°C):110

9.       比旋光度(ºF):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,110ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

安全信息展开↓

海关代码:
2912499000
危险类别码:
R36/37/38
安全说明:
26-36
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 104-45-0

    对丙基苯甲醚

  • ~70%

  • 1963-36-6

    4-甲氧基肉桂醛

  • +

  • 24680-50-0

    4-甲氧基肉桂醛

  • 19115-30-1

    1-(4-methoxyphenyl)prop-2-yn-1-ol

  • ~38%

  • 24680-50-0

    4-甲氧基肉桂醛

  • +

  • 1963-36-6

    4-甲氧基肉桂醛

  • 71277-02-6

    3,3-Diethoxy-1-(4-methoxyphenyl)-1-propen

  • 24680-50-0

    4-甲氧基肉桂醛

  • +

  • 1963-36-6

    4-甲氧基肉桂醛

毒理性展开↓

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name 4-Methoxycinnamaldehyde
    Portland OR
    Synonym        3-(4-methoxyphenyl)acrylaldehyde    
    Chemical Formula        CH3OC6H4CH:CHCHO    
    CAS Number        1963-36-6    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    4-Methoxycinnamaldehyde        1963-36-6        Min. 97.0 Not available.        Not available.    
    (GC)

Section III. Hazards Identification
    Acute Health Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the    
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
    handling this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    Toxicity to the reproductive system: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
    not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum    
    of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
    supportively.
    Skin Contact        If the chemical gets spilled on a clothed portion of the body, remove the contaminated clothes as quickly as possible,    
    protecting your own hands and body. Place the victim under a deluge shower. If the chemical touches the victim's
    exposed skin, such as the hands: Gently and thoroughly wash the contaminated skin with running water and non-abrasive
    soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with an emollient. Seek
    medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing.
    Inhalation        If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If    
    breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    Remove dentures if any. Have conscious person drink several glasses of water or milk. INDUCE VOMITING by sticking
    Ingestion
    finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. NEVER give an unconscious
    person anything to ingest. Seek medical attention. Treat symptomatically and supportively.

Section V. Fire and Explosion Data
    Not available.
    Flammability        Combustible.        Auto-Ignition    
    Flammable Limits
    Flash Points        Not available.    
    Not available.
    Combustion Products        These products are carbon oxides (CO, CO 2).    
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Continued on Next Page
    4-Methoxycinnamaldehyde

Section VI.        Accidental Release Measures    
    Spill Cleanup        In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a    
    Instructions        shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any    
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    Handling and Storage        IRRITANT. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the    
    container and store in a dry, cool place. Avoid excessive heat and light. DO NOT ingest. DO NOT breathe dust. In case
    Information
    of insufficient ventilation, wear suitable respiratory equipment. If ingested, seek medical advice immediately and show the
    container or the label. Treat symptomatically and supportively. Avoid contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid    
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
    this product.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Solid. (Powder.)        Not available.    
    Not available.
    Specific Gravity
    Molecular Weight        162.19        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not available.    
    Melting Point        58°C (136.4°F)        Vapor Density        Not available.    
    Not available.        Volatility        Not available.    
    Refractive Index
    Critical Temperature        Odor        Not available.    
    ------------
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability
    Air and light sensitive.
    Incompatibilities
    Highly reactive with oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        Not available.    
    Routes of Exposure        Ingestion. Inhalation. Eye contact. Skin contact.    
    Not available.
    Toxicity Data
    No additional remark.
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    Toxicity to the reproductive system: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    Acute Toxic Effects
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
    handling this compound.
    Continued on Next Page
    4-Methoxycinnamaldehyde

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
    Waste Disposal
    a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state, and local regulations when disposing of this substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not available.    
    Proper Shipping Name
    Not available.
    Packing Group (PG)        Not available.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is ON the Toxic Substances Control Act (TSCA) list.    
    (EPA)
    WHMIS Classification
    WHMIS CLASS D-2B: Material causing other toxic effects (TOXIC).
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        R36/38- Irritating to eyes and skin.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2912499000

概述:
2912499000. 其他醛醚、醛酚及含其他含氧基的醛. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 四聚甲醛报明外观
摘要/Summary:
2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

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:49.00

2、   摩尔体积(m3/mol):151.7

3、   等张比容(90.2K):375.7

4、   表面张力(dyne/cm):37.6

5、   介电常数(F/m):无可用

6、   偶极距(D):无可用

7、   极化率(10-24cm3):19.42

计算化学数据


1、   疏水参数计算参考值(XlogP):1.8

2、   氢键供体数量:0

3、   氢键受体数量:2

4、   可旋转化学键数量:3

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):26.3

7、   重原子数量:12

8、   表面电荷:0

9、   复杂度:155

10、同位素原子数量: 0

11、确定原子立构中心数量:0

12、不确定原子立构中心数量:0

13、确定化学键立构中心数量:1

14、不确定化学键立构中心数量:0

15、共价键单元数量:1

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