产品说明
一般描述
Glutaconic acid, also known as 2-pentenedioic acid, is an unsaturated dicarboxylic acid. It is formed as one of the degradation products during the partial wet oxidation (PWO) of alkali lignin. The analysis of its crystal structure indicates that the compound exists predominantly in the trans-conformation. The geometric bond lengths and bond angles of glutaconic acid have been obtained using Hartree–Fock (HF), density functional calculations and IR spectral data.
应用
Glutaconic acid has been used in the preparation of CoA-substrate glutaconyl-CoA by reacting with acetyl-CoA. It may be used in the preparation of 6-chloro-2(2H)-pyranone by reacting with phosphorus pentachloride (PCl5).
包装
5 g in glass bottle
基本信息
| 线性分子式 | HOOCCH2CH=CHCOOH |
| 分子量 | 130.10 |
| Beilstein | 1759560 |
| EC 号 | 217-027-0 |
| MDL编号 | MFCD00002784 |
| PubChem化学物质编号 | 57651185 |
| NACRES | NA.22 |
产品性质
| 质量水平 | 100 |
| 测定 | 97% (T) |
| SMILES string | OC(=O)C\C=C\C(O)=O |
| InChI | 1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+ |
| InChI key | XVOUMQNXTGKGMA-OWOJBTEDSA-N |
安全信息
| 储存分类代码 | 13 - Non Combustible Solids |
| WGK | WGK 3 |
| 闪点(F) | Not applicable |
| 闪点(C) | Not applicable |
| 个人防护装备 | Eyeshields, Gloves, type N95 (US) |
Sigma-Aldrich
m.cnreagent.com
