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49360 Sigma-Aldrich

Glutaconic acid

97% (T)

Synonym: 2-Pentenedioic acid

  • CAS Number 1724-02-3

  • Linear Formula HOOCCH2CH=CHCOOH

  • Molecular Weight 130.10

  •  Beilstein/REAXYS Number 1759560

  •  EC Number 217-027-0

  •  MDL number MFCD00002784

  •  PubChem Substance ID 57651185

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
assay   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

Description

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.

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).

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles

Articles

OAMLS Online Plate Map

OAMLS compounds are conveniently provided at 5µg per well, enough for multiple injections. These are high purity (>95%) compounds supplied in an economical, ready to use format. Compounds are arrange...
Keywords: Metabolites

Peer-Reviewed Papers
15

References

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