Ethyl undecanoate 十一烷酸乙酯

CAS 627-90-7 MFCD00008958

化学结构图

627-90-7
SMILES: CCCCCCCCCCC(=O)OCC

化学属性

Mol. FormulaC13H26O2
Mol. Weight214.35
Density0.859
Boiling Point105°C at 760 mmHg
Refractive index1.4280 to 1.4300
Flash Point109.5±6.9 °C
TSCAYes
Melting Point-15°C
Appearance 无色液体。呈葡萄酒香、脂香、果香、椰子和坚果香。近似于庚酸乙酯的香气。溶于乙醇和湖类,不溶于水。沸点255℃,或102~107℃(133Pa)。 天然品存在于小麦面包、奶油、康酿克酒、葡萄白兰地、朗姆酒、威士忌、白葡萄酒、米酒等中。

别名和识别编码

Chemical NameEthyl undecanoate
Synonym Ethyl undecanoate {LY} Ethyl undecanoate {} {LY} Ethyl undecanoate {} {} {LY} Ethyl undecanoate {} {} {} {LY} Ethyl undecanoate {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl undecanoate {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00008958
CAS Number627-90-7
PubChem Substance ID12327
EC Number211-018-5
Beilstein Registry Number2(1)154
Reaxys-RN1767805
Chemical Name Translation十一烷酸乙酯
LabNetwork Molecule IDLN00202078
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3
Canonical SMILESCCCCCCCCCCC(OCC)=O
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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 Listings, E-F, Flavors and Fragrances
  • {SNA} Building Blocks, C12 to C63,
  • {SNA} Biochemicals and Reagents, Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Ethyl Ester, Fatty Acyls, Fatty Esters, Lipids, Organic Building Blocks
  • {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Ethyl Ester, Fatty Acyls, Fatty Esters, Organic Building Blocks, 生化试剂, 脂类
  • {SNA} Biochemicals and Reagents,

相关文献及参考

  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Vol
  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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} 2-8°
Safety Statements
GHS Symbol
Precautionary statements

其他信息

  • 毒性:GRAS(FEMA)。
  • 上游原料:10-十一烯酸乙酯 --> 十一烷酸 --> 十一烷
  • TCI Shanghai:十一酸乙酯 Ethyl Undecanoate,>;98.0%(GC)(627-90-7)
  • 参考质量标准:FAO/WHO,1996 折射率(n D 20 ) 1.438 相对密度(d 25 25 ) 0.870
  • 十一酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 U0049 十一酸乙酯 Ethyl Undecanoate 25ML 378元 2014/06/02 U0049 十一酸乙酯 Ethyl Undecanoate 250ML 1950元 2010/06/21 164981000 十一酸乙酯 Ethyl undecanoate 97% 100 GR 1080元
  • 方法一:由十一碳烯酸乙酯与氢在镍存在下,于180℃下反应而得。也可由正十一烷酸与乙醇回流酯化而得。
  • Sigma Aldrich:627-90-7(sigmaaldrich)
  • MOL 文件:627-90-7.mol
  • 使用限量:FEMA(mg/kg):无醇饮料2.0;冷饮8.0;糖果16.0;含醇饮料8.0。 FDA,§172.515:适量为限。
  • Alfa Aesar:十一酸乙酯,97% Ethyl undecanoate, 97%(627-90-7)
  • FEMA:3492
  • 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) 十一酸乙酯 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
  • 用途一:食品用香料。
  • 图谱信息:十一酸乙酯(627-90-7)质谱(MS) 十一酸乙酯(627-90-7)核磁图( 13 CNMR) 十一酸乙酯(627-90-7)核磁图( 1 HNMR) 十一酸乙酯(627-90-7)红外图谱(IR1) 十一酸乙酯(627-90-7)Raman光谱
  • 十一酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 U0049 十一酸乙酯 Ethyl Undecanoate 25ML 399元 2011/04/16 U0049 十一酸乙酯 Ethyl Undecanoate 250ML 2050元 2010/06/21 164981000 十一酸乙酯 Ethyl undecanoate 97% 100 GR 1080元
  • Acros Organics:十一酸乙酯 Ethyl undecanoate, 97%(627-90-7)

系列性分类


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