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1724-02-3

1724-02-3 Structure

1724-02-3 Structure
IdentificationMore
[Name]

Pent-2-ene-1,5-dioic acid
[CAS]

1724-02-3
[Synonyms]

2-PENTENEDIOIC ACID
GLUTACONIC ACID
TRANS-GLUTACONIC ACID
pent-2-ene-1,5-dioic acid
pentene diacid
pentenedioic acid
[EINECS(EC#)]

217-027-0
[Molecular Formula]

C5H6O4
[MDL Number]

MFCD00002784
[Molecular Weight]

130.1
[MOL File]

1724-02-3.mol
Chemical PropertiesBack Directory
[Melting point ]

137-139 °C(lit.)
[Boiling point ]

413.8±28.0 °C(Predicted)
[density ]

1.384±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.21±0.10(Predicted)
[color ]

White to Beige
[BRN ]

1759560
[Stability:]

Light Sensitive
[LogP]

0.040 (est)
[CAS DataBase Reference]

1724-02-3(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

2917198090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-benzoquinone-->2-hydroxyterephthalic acid-->Phenol-->2-Chlorophenol-->Oxalic acid-->Catechol-->Maleic acid
[Preparation Products]

TRICOSANOIC ACID-->GLUTACONIC ACID-->3-AMINOPENTANEDIOIC ACID-->(E)-dimethyl pent-2-enedioate
Hazard InformationBack Directory
[Uses]

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).
[Definition]

ChEBI: Glutaconic acid is a pentenedioic acid that is pent-2-ene substituted by carboxy groups at positions 1 and 5. It has a role as a human metabolite. It is a conjugate acid of a glutaconate(1-).
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

Pent-2-ene-1,5-dioic acid(1724-02-3)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1724-02-3(sigmaaldrich)
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