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
SMILES: CCCC(C)C(C(=O)OCC)C(=O)OCC
化学属性
| Mol. Formula | C12H22O4 |
|---|---|
| Mol. Weight | 230.30 |
| Refractive index | 1.4260 to 1.4310 |
| Density | 0.968 |
| TSCA | No |
| Boiling Point | 118-119 °C at 9 mmHg |
| Flash Point | 118-119°C/9mm |
别名和识别编码
| Chemical Name | 1-Methylbutylmalonic Acid Diethyl Ester |
|---|---|
| CAS Number | 117-47-5 |
| Reaxys-RN | 1726148 |
| PubChem Substance ID | 95449 |
| MDL Number | MFCD00051558 |
| 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)malonate {} {} {} {} {} {} {} {} {} {} {} {} {} |
| EC Number | 204-193-4 |
| Chemical Name Translation | 1-甲基丁基丙二酸二乙酯 |
| InChIKey | RQFSNEWORATSCC-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01288671 |
| InChI | InChI=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 SMILES | CCCC(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
- 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；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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)
