Ethyl 2-acetylhexanoate 2-正丁基乙酰乙酸乙酯
CAS 1540-29-0 MFCD00026888
化学结构图
SMILES: CCCCC(C(C)=O)C(=O)OCC
化学属性
| Mol. Formula | C10H18O3 |
|---|---|
| Mol. Weight | 186.25 |
| Density | 0.95 |
| Refractive index | 1.4280 to 1.4320 |
| TSCA | No |
| Boiling Point | 221.5°C at 760 mmHg |
| Flash Point | 65°C/1mm |
别名和识别编码
| Chemical Name | Ethyl 2-Acetylhexanoate |
|---|---|
| Synonym | Ethyl 2-acetylhexanoate {LY} Ethyl 2-acetylhexanoate {} {LY} Ethyl 2-acetylhexanoate {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-acetylhexanoate |
| MDL Number | MFCD00026888 |
| CAS Number | 1540-29-0 |
| EC Number | 216-271-5 |
| Beilstein Registry Number | 636718 |
| Alfabeta Name | ETHYLACETYLHEXANOATE 2- |
| Reaxys-RN | 636718 |
| PubChem Substance ID | 95466 |
| Chemical Name Translation | 2-正丁基乙酰乙酸乙酯 |
| LabNetwork Molecule ID | LN00179007 |
| InChI | InChI=1S/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3 |
| Canonical SMILES | CCCCC(C(=O)C)C(=O)OCC |
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分类
- {Chemicalbook} 农药中间体: 杀菌剂中间体: 其他类杀菌剂
- {uni_hamburg} no charge; ester; ketone; racemate; 1fragment
- {SNA} Building Blocks, C10, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds
相关文献及参考
- 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
- 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.
安全信息
GHS Symbol
其他信息
- TCI Shanghai:2-正丁基乙酰乙酸乙酯 Ethyl 2-Butylacetoacetate,>;95.0%(GC)(1540-29-0)
- 图谱信息:2-正丁基乙酰乙酸乙酯(1540-29-0)Raman光谱 2-正丁基乙酰乙酸乙酯(1540-29-0)核磁图( 13 CNMR) 2-正丁基乙酰乙酸乙酯(1540-29-0)质谱(MS) 2-正丁基乙酰乙酸乙酯(1540-29-0)核磁图( 1 HNMR) 2-正丁基乙酰乙酸乙酯(1540-29-0)红外图谱(IR1)
- 方法一:其制备方法是在反应釜加入无水乙醇，然后慢慢加入小块金属钠，需要3～4h加完，在金属钠全部溶解后加入乙酰乙酸乙酯，开动搅拌，并加热至回流，在反应液中加入1-溴丁烷，加完后继续搅拌回流反应10h，反应结束后，冷却过滤，用无水乙醇洗涤沉淀，合并反应液和洗涤液，先蒸出乙醇，然后再减压蒸馏得成品。反应方程式：CH 3 COCH 2 COOC 2 H 5 +C 4 H 9 Br+CH 3 CH 2 ONa→CH 3 COCH(C 4 H 9 )COOC 2 H 5 +NaBr+C 2 H 5 OH
- MOL 文件:1540-29-0.mol
- 下游产品:二甲嘧酚
- Alfa Aesar:2-正丁基乙酰乙酸乙酯,95% Ethyl 2-n-butylacetoacetate, 95%(1540-29-0)
- 上游原料:乙醇 --> 溴丁烷
- 2-正丁基乙酰乙酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0702 2-丁基乙酰乙酸乙酯 Ethyl 2-Butylacetoacetate 5ML 638元 2014/06/02 B0702 2-丁基乙酰乙酸乙酯 Ethyl 2-Butylacetoacetate 25ML 1910元 2010/05/25 L00905 2-正丁基乙酰乙酸乙酯, 95% Ethyl 2-n-butylacetoacetate, 95% 5g 610元
- 用途一:2-正丁基乙酰乙酸乙酯是杀菌剂二甲嘧酚和乙嘧酚的中间体。
