ChemicalBook--->CAS DataBase List--->628-48-8

628-48-8

628-48-8 Structure

628-48-8 Structure
IdentificationBack Directory
[Name]

GLUTACONIC ACID
[CAS]

628-48-8
[Synonyms]

C02214
GLUTACONIC ACID
(E)-Glutaconate
trans-Glutaconate
2-PENTENEDIOIC ACID
TRANS-GLUTACONIC ACID
(E)-2-Pentenedioic acid
(E)-pent-2-enedioic acid
2-Pentenedioic acid,(2E)-
TRANS-GLUTACONIC ACID, TECH., 90%
trans-Glutaconic acid technical grade, 90%
[EINECS(EC#)]

217-027-0
[Molecular Formula]

C5H6O4
[MDL Number]

MFCD00002784
[MOL File]

628-48-8.mol
[Molecular Weight]

130.1
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. ]

Sealed in dry,Room Temperature
[solubility ]

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

Solid
[pka]

pK1:3.77;pK2:5.08 (25°C)
[color ]

White to Off-White
[Stability:]

Light Sensitive
[InChI]

1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
[InChIKey]

XVOUMQNXTGKGMA-OWOJBTEDSA-N
[SMILES]

[H]\C(CC(O)=O)=C(\[H])C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[HS Code ]

2917198090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

trans-Glutaconic Acid is used in the synthesis of iso and azokainoids which act as agonists for glutamate receptors. E-isomer of Glutaconic Acid (G596945).
[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-).
Spectrum DetailBack Directory
[Spectrum Detail]

GLUTACONIC ACID(628-48-8)MS
GLUTACONIC ACID(628-48-8)1HNMR
GLUTACONIC ACID(628-48-8)IR1
GLUTACONIC ACID(628-48-8)IR2
GLUTACONIC ACID(628-48-8)Raman
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