Ethyl 3-phenylpropionate 3-苯基丙酸乙酯

CAS 2021-28-5 MFCD00009206

化学结构图

2021-28-5
SMILES: CCOC(=O)CCc1ccccc1

化学属性

Mol. FormulaC11H14O2
Mol. Weight178.23
Density1.01
Refractive index1.4930 to 1.4950
Flash Point108°C
TSCAYes
Boiling Point247-249°C at 760 mmHg
Solubility<0.1 G/100 ML AT 25 ºC
Appearance D 20 )1.015，折射率(n 无色略呈油状液体，呈甜的水果和蜂蜜似花香香气。沸点247～249℃，闪点108℃。相对密度(d 4 17.8 )1.4951。不溶于水，溶于大多数有机溶剂及油类，混溶于乙醇。
Melting Point122-124 °C

别名和识别编码

Chemical NameEthyl 3-phenylpropionate
Synonym Ethyl 3-phenylpropanoate {LY} Ethyl 3-phenylpropanoate {} {LY} Ethyl 3-phenylpropanoate {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate
CAS Number2021-28-5
EC Number217-966-6
Beilstein Registry Number1910432
MDL NumberMFCD00009206
PubChem Substance ID16237
Reaxys-RN1910432
Chemical Name Translation3-苯基丙酸乙酯
LabNetwork Molecule IDLN00226542
InChIInChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
Canonical SMILESCCOC(CCC1=CC=CC=C1)=O
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分类

  • {SNA} Alphabetical Listings, E-F, Flavors and Fragrances
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {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, E-F, E-G, Flavors and Fragrances

相关文献及参考

  • Short: IV/16
  • Short: IV/18B
  • Beilstein:9(4)1753
  • Short: IV/1a
  • Short: III/35C1

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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) Eyeshields, Gloves
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 海关编码:29163900
  • 使用限量:FEMA(mg/kg)：软饮料1.8；冷饮1.0；糖果2.5；焙烤食品0.50～30。
  • TCI Shanghai:3-苯基丙酸乙酯 Ethyl 3-Phenylpropionate,>;98.0%(GC)(2021-28-5)
  • 上游原料:肉桂酸乙酯
  • 用途三:用于医药中间体，有机合成。
  • 参考质量标准:FAO/WHO，2000 含量(GT-10-4) ≥98% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.492～1.497 相对密度(d 25 25 ) 1.009～1.017
  • FEMA:2455
  • 用途一:用作医药中间体，也用于有机合成
  • 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） 苯丙酸乙酯 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
  • MOL 文件:2021-28-5.mol
  • Acros Organics:3-苯基丙酸乙酯 Ethyl 3-phenylpropionate, 98%(2021-28-5)
  • MSDS 信息:3-Phenylpropionic acid ethyl ester(2021-28-5).msds
  • 方法一:由肉桂酸乙酯在乙醇液中和镍催化下加氢氢化而成。
  • 用途二:GB 2760--1996规定为允许使用的食品用香料。
  • 图谱信息:3-苯丙酸乙酯(2021-28-5)质谱(MS) 3-苯丙酸乙酯(2021-28-5)核磁图( 13 CNMR) 3-苯丙酸乙酯(2021-28-5)红外图谱(IR1) 3-苯丙酸乙酯(2021-28-5)核磁图( 1 HNMR)
  • 毒性:可安全用于食品(FDA，§172．515，2000)。
  • Sigma Aldrich:2021-28-5(sigmaaldrich)
  • Alfa Aesar:3-苯基丙酸乙酯,98+% Ethyl 3-phenylpropionate, 98+%(2021-28-5)
  • 3-苯丙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P1304 3-苯基丙酸乙酯 Ethyl 3-Phenylpropionate 25G 383元 2014/06/02 P1304 3-苯基丙酸乙酯 Ethyl 3-Phenylpropionate 250G 1910元 2010/06/21 351770250 3-苯丙酸乙酯 Ethyl 3-phenylpropionate 98% 25 GR 516元
  • 不溶于水。

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. E-F - 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

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