| Identification | More | [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 Properties | Back 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 | [InChI]
InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9) | [InChIKey]
XVOUMQNXTGKGMA-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C=CCC(O)=O | [LogP]
0.040 (est) | [CAS DataBase Reference]
1724-02-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
2917198090 |
| Hazard Information | Back 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. | [Synthesis]
Pent-2-ene-1,5-dioic acid belongs to the class of acids that can be biosynthesized by Escherichia coli. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Sigma-Aldrich
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021-61415566 800-8193336 |
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https://www.sigmaaldrich.cn |
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