49360

Glutaconic acid

97% (T)

• 동의어(들): 2-Pentenedioic acid
• Linear Formula: HOOCCH₂CH=CHCOOH
• CAS Number: 1724-02-3
• Molecular Weight: 130.10
• Beilstein: 1759560
• EC Number: 217-027-0
• MDL number: MFCD00002784
• UNSPSC 코드: 12352100
• PubChem Substance ID: 57651185
• NACRES: NA.22

속성

• 분석: 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

설명

일반 설명

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.

애플리케이션

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).

안전성 정보

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• 개인 보호 장비: Eyeshields, Gloves, type N95 (US)