Glutaconic acid
ALDRICH/49360 - 97% (T)
Synonym: 2-Pentenedioic acid
CAS Number: 1724-02-3
Empirical Formula (Hill Notation): C5H6O4
Molecular Weight: 130.10
EC Number: 217-027-0
MDL Number: MFCD00002784
Linear Formula: HOOCCH2CH=CHCOOH
Product Type: Chemical
| assay | 97% (T) |
| InChI | 1S/C5H6O4/c6-4(7)2-1-3-5( |
| InChI key | XVOUMQNXTGKGMA-OWOJBTEDSA |
| SMILES string | OC(=O)CC=CC(O)=O |
| Application: | 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). |
| General description: | 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. |
| Packaging: | 5 g in glass bottle |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 97% (T) |
| UNSPSC | 12352100 |