1-Methylbutylmalonic Acid Diethyl Ester 1-甲基丁基丙二酸二乙酯

CAS 117-47-5 MFCD00051558

化学结构图

117-47-5
SMILES: CCCC(C)C(C(=O)OCC)C(=O)OCC

化学属性

Mol. FormulaC12H22O4
Mol. Weight230.30
Refractive index1.4260 to 1.4310
Density0.968
TSCANo
Boiling Point118-119 °C at 9 mmHg
Flash Point118-119°C/9mm

别名和识别编码

Chemical Name1-Methylbutylmalonic Acid Diethyl Ester
CAS Number117-47-5
Reaxys-RN1726148
PubChem Substance ID95449
MDL NumberMFCD00051558
Synonym Diethyl 2-(pentan-2-yl)malonate {LY} Diethyl 2-(pentan-2-yl)malonate {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)malonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diethyl 2-(pentan-2-yl)ma
EC Number204-193-4
Chemical Name Translation1-甲基丁基丙二酸二乙酯
InChIKeyRQFSNEWORATSCC-UHFFFAOYSA-N
LabNetwork Molecule IDLN01288671
InChIInChI=1S/C12H22O4/c1-5-8-9(4)10(11(13)15-6-2)12(14)16-7-3/h9-10H,5-8H2,1-4H3
Canonical SMILESCCCC(C)C(C(=O)OCC)C(=O)OCC
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分类

  • {uni_hamburg} no charge; ester; racemate; 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
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
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
Storage condition

其他信息

  • MOL 文件:117-47-5.mol
  • (2-戊基)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 M0262 1-甲基丁基丙二酸二乙酯 Diethyl 1-Methylbutylmalonate 25ML 645元 2010/05/25 B24993 (2-戊基)丙二酸二乙酯, 94% Diethyl (2-pentyl)malonate, 94% 50g 1081元 2010/05/25 B24993 (2-戊基)丙二酸二乙酯, 94% Diethyl (2-pentyl)malonate, 94% 250g 4592元
  • 图谱信息:(2-戊基)丙二酸二乙酯(117-47-5)核磁图( 1 HNMR) (2-戊基)丙二酸二乙酯(117-47-5)质谱(MS) (2-戊基)丙二酸二乙酯(117-47-5)红外图谱(IR1)
  • TCI Shanghai:1-甲基丁基丙二酸二乙酯 Diethyl 1-Methylbutylmalonate,>;85.0%(GC)(117-47-5)
  • Alfa Aesar:(2-戊基)丙二酸二乙酯,94% Diethyl (2-pentyl)malonate, 94%(117-47-5)

系列性分类


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