Ethyl cinnamate 肉桂酸乙酯

CAS 103-36-6 MFCD00009189

化学结构图

103-36-6
SMILES: CCOC(=O)/C=C/c1ccccc1

化学属性

Mol. FormulaC11H12O2
Mol. Weight176.21
Density1.049
Refractive indexn20/D 1.558(lit.)
Boiling Point271 °C at 760 mmHg
Melting Point6-8 °C
Flash Point>110°C
TSCAYes
Solubility不溶
Stability对光敏感
Appearance 无色油状液体，熔点12℃（6.5-7.5℃），沸点271.5℃，144℃（2.0kPa），相对密度1.4091，折光率1.5598，能与乙醇、乙醚混溶，不溶于水，肉桂酸乙酯(103-36-6)为反式酯，其顺式异构体称别肉桂酸乙酯，在暗室中长期贮存能发出蔷薇红色荧光，透过光线常有绿色，同时能生成不溶性的白色粉末。

别名和识别编码

Chemical NameEthyl cinnamate
CAS Number103-36-6
EC Number203-104-6
Beilstein Registry Number775541
MDL NumberMFCD00009189
Synonym Ethyl cinnamate {LY} Ethyl cinnamate {} {LY} Ethyl cinnamate {} {} {LY} Ethyl cinnamate {} {} {} {LY} Ethyl cinnamate {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID637758
Merck Number14,2299
Reaxys-RN775541
Chemical Name Translation肉桂酸乙酯
Wiswesser Line Notation2OV1U1R
LabNetwork Molecule IDLN00221569
InChIInChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
Canonical SMILESO=C(OCC)/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料
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products,
  • {SNA} Building Blocks, C10 t
  • {SNA} Alphabetical Listings,

产品应用

  • 香精的定香剂和变调剂。玻璃棱镜

相关文献及参考

  • Arylacrylic esters undergo reductive cross-coupling with alkylaldehydes, promoted by Mg in the presence of TMS chloride, giving 4-aryl-5-alkyl--butyrolactones in high yield: J. Org. Chem., 60, 458 (1995).
  • Short: IV/1a
  • Merck:14,2299 Beilstein:9(3)2682
  • Short: EINECS
  • Short: IV/6
  • Merck:14,2299

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R20 Harmful by inhalation 吸入有害
  • 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
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
RTECSGD9010000
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Storage condition 2-8°C {LY} 2-8°C Refrigerator (+4°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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

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: 12,719,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

其他信息

  • 方法二:在硫酸存在下，将肉桂酸和乙醇进行酯化反应（收率约60%）而得。也可由苯甲醛与乙酸乙酯反应而得。
  • 方法一:苯甲醛与乙酸乙酯在金属钠存在下化合而得。 由桂酸、乙醇、硫酸在硫酸铝存在下加热至100℃而得。
  • 下游产品:奥扎格雷 --> 3-苯丙醇 --> 3-苯丙酸乙酯
  • {Chemica
  • 参考质量标准:指标名称 FAO/WHO，2000 含量 ≥99.0%(GT-10-4) 折射率(n D 20 ) 1.558～1.562 醇中溶解度(OT-43) - 相对密度(d 25 25 ) 1.044～1.051 酸值(OT-4) ≤1.0 色泽(GT-11-2) -
  • 使用限量:FEMA(mg/kg)：软饮料4.1；冷饮8.8；糖果9.5；焙烤食品12；布丁类2.4；胶姆糖1l～40。 适度为限(FDA§172．515，2000)。
  • 肉桂酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0359 肉桂酸乙酯 Ethyl Cinnamate 25G 131元 2014/06/02 C0359 肉桂酸乙酯 Ethyl Cinnamate 500G 683元 2010/06/21 150530050 肉桂酸乙酯 Ethyl cinnamate , 98% trans 5 GR 222元
  • 毒性:ADI 1.25 mg/kg(CE)。 LD 50 4000m/kg(大鼠，经口)。
  • 用途四:适量用于玫瑰、水仙、龙涎香-琥珀香、柑橘香、香薇、素心兰、古龙、重东方型和木香-熏香型等香精中。在香皂、盥用水类、粉类香精中能协调其他膏香，并有定香作用。也可作为食用香料用于樱桃、葡萄、草莓、悬钩子、桃子、梅子、桂皮、
  • 微有桂皮得味。在光和热作用下易发生聚合。在苛性碱作用下发生水解。能与乙醇和乙醚混溶，不溶于水。低毒，半数致死量(大鼠，经口)400mg/kg。
  • MSDS 信息:Ethyl 3-phenyl propenoate(103-36-6).msds
  • 用途三:GB 2760—96规定为暂时允许使用的食用香料。主要用于配制草莓、树莓、李、樱桃等型香精。因沸点高而稳定，宜用于焙烤类食品。
  • FEMA:2430
  • TCI Shanghai:肉桂酸乙酯 E
  • 用途二:用于香料工业
  • 用途五:该品存在于天然苏合香中，具有似水果的香气，气息清而甜润，有东方香调。与香紫菌滑及天然果子精油合用效果较好，用于香粉、香水、香精中更佳。食用杨梅香精中亦可使用。
  • 微有桂皮得味。在光和热作用下易发生聚合。在苛性碱作用下发生水解。能与乙醇和乙醚混溶，不溶于水。低毒，半数致死量(大鼠，经口)401mg/kg。
  • 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） 肉桂酸乙酯 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
  • 香精香料应用:肉桂酸乙酯又称β-苯基丙烯酸乙酯、3-苯丙酸乙酯，常温下为无色油状液体。天然存在于番石榴、草莓、白及红葡萄酒、白兰地、朗姆酒、香荚兰、霸王树中。香气特征描述：甜的琥珀膏香，甜橙和葡萄样底韵，具有优雅的香脂香和蜜香-花香等香气。味道：有力的甜果香、梅子、樱桃样的香味、甜的水果味，香膏香、浆果、混合甜饮料、青
  • Alfa Aesar:肉桂酸乙酯,98+% Ethyl cinnamate, 98+%(103-36-6)
  • Acros Organics:肉桂酸乙酯 Ethyl cinnamate, 98% trans(103-36-6)
  • 含量分析:按酯测定法(OT-18)中的疗法一测定。所取试样量为1.2g。计算中的当量因子(e)取88.11。 或按GT-10-4中用极性柱方法测定。
  • 上游原料:钠 --> 硫酸铝 --> 肉桂酸 --> 酸乙醇
  • MOL 文件:103-36-6.mol

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. E-H - Kosher Certified Products
  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

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