Diethyl isopentylmalonate 2-异戊基丙二酸二乙酯

CAS 5398-08-3 MFCD00026872

化学结构图

5398-08-3
SMILES: CCOC(=O)C(CCC(C)C)C(=O)OCC

化学属性

Mol. FormulaC12H22O4
Mol. Weight230.30
Density0.958
TSCANo
Boiling Point248-251°
Appearance 无色透明液体。

别名和识别编码

Chemical NameDiethyl 2-Isopentylmalonate
Synonym Diethyl 2-isopentylmalonate {LY} Diethyl 2-isopentylmalonate {} {LY} Diethyl 2-isopentylmalonate {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} { {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {} {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-isopentylmalonate {} {} {} {} {} {} {} {
CAS Number5398-08-3
MDL NumberMFCD00026872
EC Number226-424-8
Chemical Name Translation2-异戊基丙二酸二乙酯
InChIKeyMPJCIHOJXMCSIM-UHFFFAOYSA-N
PubChem Substance ID79384
InChIInChI=1S/C12H22O4/c1-5-15-11(13)10(8-7-9(3)4)12(14)16-6-2/h9-10H,5-8H2,1-4H3
Canonical SMILESCCOC(=O)C(CCC(C)C)C(=O)OCC
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分类

  • {uni_hamburg} no charge; ester; 1fragment

相关文献及参考

  • 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: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

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；
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P312
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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

  • 下游产品:异戊巴比妥 --> 乙基(异戊基)丙二酸二乙酯
  • 用途一:用作医药的原料和农药中间体
  • Sigma Aldrich:5398-08-3(sigmaaldrich)
  • 上游原料:乙醇钠 --> 异戊醇 --> 1-溴代异戊烷
  • Alfa Aesar:Diethyl isopentylmalonate, 98%(5398-08-3)
  • MSDS 信息:Diethyl isoamylmalonate(5398-08-3).msds
  • MOL 文件:5398-08-3.mol
  • 用途二:异戊巴比妥、速可巴比妥钠的中间体。
  • 方法一:用异戊醇以氢溴酸在硫酸参与下溴化，生成溴代异戊烷即1-溴-3-甲基丁烷，然后与丙二酸二乙酯在乙醇钠参与下缩合制得该品。

系列性分类

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