Methyl cinnamate 肉桂酸甲酯

CAS 103-26-4 MFCD00008458

化学结构图

103-26-4
SMILES: COC(=O)C=CC1CCCCC1

化学属性

Mol. FormulaC10H10O2
Mol. Weight162.19
Boiling Point260-262°C at 760 mmHg
Melting Point34-38°C
Density1.092
Refractive index1.565
Flash Point113°C
TSCAYes
Solubility不溶
Appearance D )1.0700。溶于乙醇、乙醚、甘油、丙二醇、大多数非挥发性油和矿物油，不溶于水。 20 )1.5670。相对密度(d 天然品含于罗勒油(可达52%)、高良姜油及桂叶油等中。 4 35 白色至微黄色结晶，呈樱桃和香酯似香{气。熔点34℃。沸点260℃，折射率(n
pH:A

别名和识别编码

Chemical NameMethyl cinnamate
Beilstein Registry Number9(3)2680
PubChem Substance ID637520
CAS Number103-26-4
EC Number203-093-8
MDL NumberMFCD00008458
Reaxys-RN386468
Merck Number2299
Synonym Methyl cinnamate {LY} Methyl cinnamate {} {LY} Methyl cinnamate {} {} {LY} Methyl cinnamate {} {} {} {LY} Methyl cinnamate {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {}
Chemical Name Translation肉桂酸甲酯
Wiswesser Line Notation1OV1U1R
InChIInChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
Canonical SMILESO=C(OC)/C=C/C1=CC=CC=C1
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分类

  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Animal Products, Basil, Cheese, Chromatography, Cinnamon, Dairy Products, Ester, Food & Beverage Standards, Fruits, Herbs & Spices, Jasmin, M, M-R, META - METH, Pepper, Plum, Strawberry, 化合物分类, 按字母排序, 食品饮料类产品, 香精香料
  • {SNA} All Alphab
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Alphabetical Listings,

相关文献及参考

  • Merck:14,2299
  • Merck:14,2299 Beilstein:9(3)2680
  • Short: III/35E
  • Short: III/38B
  • [1]. Chen YY, et al. Methyl cinnamate inhibits adipocyte differentiation via activation of the CaMKK2-AMPK pathwayin 3T3-L1 preadipocytes. J Agric Food Chem. 2012 Feb 1;60(4):955-63.

安全信息

WGK Germany1
RTECSGE0190000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2610 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,849,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,849,1975

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 使用限量:FEMA(mg/kg)：软饮料1.9；冷饮3.8；糖果8.7；焙烤食品13；布丁类1.7~14；胶姆糖2.7~40；调味品0.40。 适度为限(FDA§172．515，2000)。
  • 肉桂酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0360 肉桂酸甲酯 Methyl Cinnamate 500G 725元 2014/06/02 C0360 肉桂酸甲酯 Methyl Cinnamate 25G 142元 2010/06/21 279765000 肉桂酸甲酯 Methyl cinnamate 98% 500 GR 1074元
  • 检测方法:GC
  • 用途三:用于香料工业作定香剂，常用于调配康乃馨、东方型花香香精，用于肥皂、洗涤剂，也用于风味剂和糕点。作为有机合成中间体，主要用于医药工业。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 肉桂酸甲酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • Acros Organics:肉桂酸甲酯 Methyl cinnamate, 98%(103-26-4)
  • Sigma Aldrich:103-26-4(sigmaaldrich)
  • 参考质量标准:FCC，1996 含量≥98.0% 酸值(OT-4) ≤2.0 醇中溶解度 lml溶于4ml80%乙醇 铅(GT-18) ≤10mg/kg 重金属(以Pb计；GT-16-2，试样500mg) ≤0.004% 氯化物试验(OT-13) 阴性
  • MSDS 信息:3-Phenyl-2-propenoic acid methyl ester(103-26-4).msds
  • 方法二:由肉桂酸与甲醇酯化而得。将肉桂酸、甲醇和硫酸的混合物加热回流5h，加收过量的甲醇。冷却，分去酸层，水洗后再用10%碳酸钠溶液洗涤，然后用水洗至中性。得粗品，经重结晶或减压蒸馏[收集132-134℃（2.0kPa）馏分]，得肉桂酸甲酯成品。收率约70%。
  • 用途二:GB 2760—1996规定为暂时允许使用的食用香料。有良好定香作用。主要用于配制樱桃、草莓和葡萄等型香精。
  • 用途一:主要用于配制樱桃、草莓和葡萄等香精
  • TCI Shanghai:肉桂酸甲酯 Methyl Cinnamate,>;99.0%(GC)(103-26-4)
  • FEMA:2698
  • 含量分析:按酯测定法(OT-18)中的方法一测定。所取试样量为1g,计算中的当量因子(e)取81.10。 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 毒性:ADI 1.25(CE)。 LD 50 2610 mg/kg(大鼠，经口)。
  • 方法一:由桂酸与甲醇在盐酸催化下加热酯化后分馏而得。
  • MOL 文件:103-26-4.mol
  • Alfa Aesar:肉硅酸甲酯,predominantlytrans,99% Methyl cinnamate, predominantly trans, 99%(103-26-4)
  • 有强烈的果香和香脂香气，稀释时有草莓香韵。不溶于水,溶于乙醇、乙醚、甘油和大多数矿物油
  • 上游原料:肉桂酸
  • 图谱信息:肉桂酸甲酯(103-26-4)核磁图( 1 HNMR) 肉桂酸甲酯(103-26-4)质谱(MS) 肉桂酸甲酯(103-26-4)Raman光谱 肉桂酸甲酯(103-26-4)红外图谱(IR1) 肉桂酸甲酯(103-26-4)红外图谱(IR3) 肉桂酸甲酯(103-26-4)核磁图( 13 CNMR) 肉桂酸甲酯(103-26-4)红外图谱(IR2)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Halal Certified Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C10 to C11 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  1. Medical Research Areas
  2. Metabolism
  3. Tyrosinase  (酪氨酸酶)