Butyl Laurate 月桂酸正丁酯

CAS 106-18-3 MFCD00042870

化学结构图

106-18-3
SMILES: CCCCCCCCCCCC(=O)OCCCC

化学属性

Mol. FormulaC16H32O2
Mol. Weight256.42
Refractive index1.4330 to 1.4360
Boiling Point180 °C at 18 mmHg
Density0.855 g/mL at 25 °C(lit.)
Melting Point-10 °C
Flash Point166°C(lit.)
TSCAYes
Appearance 天然品存在于新鲜苹果、麦芽威士忌、鹅莓等中。 无色至淡黄色液体。呈水果香和花生香气。沸点154℃(600Pa)。熔点-7℃。溶于大多数有机溶剂，不溶于水。

别名和识别编码

Chemical NameButyl Laurate
MDL NumberMFCD00042870
CAS Number106-18-3
Synonym Butyl Laurate {LY} Butyl Laurate {} {LY} Butyl Laurate {} {} {LY} Butyl Laurate {} {} {} {LY} Butyl Laurate {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl Laurate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID87572046
EC Number203-370-3
Beilstein Registry Number1776360
Reaxys-RN1776360
Chemical Name Translation月桂酸正丁酯
LabNetwork Molecule IDLN00220421
InChIInChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
Canonical SMILESCCCCCCCCCCCC(=O)OCCCC
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} A-B, Alphabetical Listings, Flavors and Fragrances

相关文献及参考

  • 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.
  • 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 Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: IV/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/8H Title: Densities of Esters and Et

安全信息

WGK Germany1
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 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°

其他信息

  • 用途二:食品用香料。
  • TCI Shanghai:月桂酸正丁酯 Butyl Laurate,>;99.0%(GC)(106-18-3)
  • Alfa Aesar:正丁基十二烷酸酯,99+% n-Butyl dodecanoate, 99+%(106-18-3)
  • 上游原料:正丁醇 --> 月桂酸
  • Sigma Aldrich:106-18-3(sigmaaldrich)
  • FEMA:2206
  • 用途一:用作油性添加原料、化纤油剂原料等
  • 图谱信息:十二酸丁酯 (106-18-3)红外图谱(IR2) 十二酸丁酯 (106-18-3)质谱(MS) 十二酸丁酯 (106-18-3)核磁图( 13 CNMR) 十二酸丁酯 (106-18-3)核磁图( 1 HNMR) 十二酸丁酯 (106-18-3)Raman光谱 十二酸丁酯 (106-18-3)红外图谱(IR1)
  • 方法一:由月桂酸与正丁醇在H2SO4存在下(或用气态HCl作为催化剂)酯化而成。
  • 使用限量:FEMA(mg/kg)：软饮料0.40～3.0；冷饮0.60；糖果17.0；焙烤制品1.0～40.0。 FDA，§172．515：适量为限。
  • MOL 文件:106-18-3.mol
  • 参考质量标准:FAO/WHO，1997 含量(GT-10-4) ≥98.0% 折射率(n D 20 ) 1.430～1.438 相对密度(d 25 25 ) 0.853～0.863 熔点 -7℃
  • 毒性:GRAS(FEMA)。

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. A-B - 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
  6. C12 to C63 - 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 - Carbonyl Compounds
  6. C12 to C63 - Esters

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