Diethyl N-Butylmalonate 正丁基丙二酸二乙酯

CAS 133-08-4 MFCD00009170

化学结构图

133-08-4
SMILES: CCCCC(C(=O)OCC)C(=O)OCC

化学属性

Mol. FormulaC11H20O4
Mol. Weight216.27
Density0.983
Boiling Point235-240 °C at 760 mmHg
Refractive index1.4220 to 1.4240
Flash Point94°C(lit.)
TSCANo
Appearance 无色液体，具有水果香气。熔点-54℃，沸点235-240℃（101.3kPa），140-145℃（5.33kPa），130-135℃（2.67kPa），122℃（1.6kPa），相对密度0.972-0.974（25/25℃），折射率1.4220，闪点93℃。易溶于乙醇、乙醚，不溶于水。
Solubility易溶于乙醇、乙醚，不溶于水。
pH:A
Melting Point238 °C

别名和识别编码

Chemical NameDiethyl N-Butylmalonate
Synonym Diethyl butylmalonate {LY} Diethyl butylmalonate {} {LY} Diethyl butylmalonate {} {} {LY} Diethyl butylmalonate {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl butylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethy
MDL NumberMFCD00009170
CAS Number133-08-4
PubChem Substance ID87563428
EC Number205-089-1
Merck Number14,1576
Beilstein Registry Number608785
Chemical Name Translation正丁基丙二酸二乙酯
Reaxys-RN608785
LabNetwork Molecule IDLN00223248
Canonical SMILESO=C(OCC)C(CCCC)C(OCC)=O
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • 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 th

安全信息

WGK Germany1
Personal Protective Equipment Eyeshields, Gloves
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
GHS Symbol
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
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

  • MSDS 信息:Diethyl n-butylmalonate(133-08-4).msds
  • 图谱信息:正丁基丙二酸二乙酯(133-08-4)核磁图( 1 HNMR) 正丁基丙二酸二乙酯(133-08-4)红外图谱(IR1) 正丁基丙二酸二乙酯(133-08-4)Raman光谱 正丁基丙二酸二乙酯(133-08-4)核磁图( 13 CNMR) 正丁基丙二酸二乙酯(133-08-4)质谱(MS)
  • 正丁基丙二酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0381 丁基丙二酸二乙酯 Diethyl Butylmalonate 500ML 999元 2014/06/02 B0381 丁基丙二酸二乙酯 Diethyl Butylmalonate 25ML 176元 2010/06/21 150280050 正丁基丙二酸二乙酯 Diethyl n-butylmalonate 99% 5 ML 209元
  • Alfa Aesar:正丁基丙二酸二乙酯硫代,99% Diethyl n-butylmalonate, 99%(133-08-4)
  • 用途二:有机合成中间体，主要用于医药制造，是解热镇痛药保泰松等药物的原料。
  • Acros Organics:正丁基丙二酸二乙酯 Diethyl n-butylmalonate, 99%(133-08-4)
  • 上游原料:乙醇钠 --> 丙二酸二乙酯 --> 丙二酸 --> 1-氯丁烷
  • Sigma Aldrich:133-08-4(sigmaaldrich)
  • TCI Shanghai:正丁基丙二酸二乙酯 Diethyl Butylmalonate,>;99.0%(GC)(133-08-4)
  • 下游产品:保泰松
  • 海关编码:29171990
  • 方法一:丙二酸二乙酯与乙醇钠混合，再加入氯丁烷经反应生成。粗制品经分离回收乙醇、洗涤及脱水等过程得成品。原料消耗定额：丙二酸二乙酯（85%）857kg/t、乙醇钠（17%）2666kg/t、氯丁烷（80%）833kg/t。
  • 用途一:用于医药及染料工业
  • MOL 文件:133-08-4.mol

系列性分类

  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 - Carbonyl Compounds
  6. C10 to C11 - Esters