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500-05-0

500-05-0 Structure

500-05-0 Structure
IdentificationMore
[Name]

Coumalic acid
[CAS]

500-05-0
[Synonyms]

2-OXO-2H-PYRAN-5-CARBOXYLIC ACID
2-PYRONE-5-CARBOXYLIC ACID
ALPHA-PYRONE-5-CARBOXYLIC ACID
COUMALIC ACID
CUMALIC ACID
CUMALINIC ACID
TIMTEC-BB SBB004170
2-Oxo-1,2H-pyran-5-carboxylic acid
2-oxo-2h-pyran-5-carboxylicaci
2-Oxopyran-5-carboxylic acid
2-Pentenedioic acid, 4-(hydroxymethylene)-, delta-lactone
alpha-Pyrone-3-carboxylic acid
Coumalicacid,97%
6-oxo-6H-pyran-3-carboxylic acid
2-Oxo-2H-pyran-5-carboxylic acid, 2-Pyrone-5-carboxylic acid
6-Oxopyran-3-carboxylic acid
a-Pyrone-5-carboxylic acid
α-Pyrone-5-carboxylic acid
[EINECS(EC#)]

207-899-0
[Molecular Formula]

C6H4O4
[MDL Number]

MFCD00006644
[Molecular Weight]

140.09
[MOL File]

500-05-0.mol
Chemical PropertiesBack Directory
[Appearance]

pale yellow to pale brown powder
[Melting point ]

203-205 °C (dec.) (lit.)
[Boiling point ]

218 °C/120 mmHg (lit.)
[density ]

1.2154 (rough estimate)
[refractive index ]

1.4434 (estimate)
[Fp ]

218°C/120mm
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

2.80±0.20(Predicted)
[color ]

White to Light yellow to Light orange
[Water Solubility ]

Very soluble in water.
[Merck ]

14,2557
[BRN ]

119747
[LogP]

0.411 (est)
[CAS DataBase Reference]

500-05-0(CAS DataBase Reference)
[NIST Chemistry Reference]

2H-Pyran-5-carboxylic acid, 2-oxo-(500-05-0)
[EPA Substance Registry System]

500-05-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

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

3
[TSCA ]

Yes
[HS Code ]

29322090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->FUMING SULFURIC ACID-->Malic acid-->2-Pentenedioic acid, 4-(methoxymethylene)-, 1,5-dimethyl ester, (2E,4Z)--->3-oxopropanoic acid-->DL-Malic acid-->L-Malic acid
[Preparation Products]

5-BROMO-2H-PYRAN-2-ONE,95%-->5-CARBOXY-N-PHENYL-2-1H-PYRIDONE-->2-OXO-2H-PYRAN-5-CARBONYL CHLORIDE-->4-Pentylbenzoic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Oxo-2H-pyran-5-carboxylic acid(500-05-0).msds
Hazard InformationBack Directory
[Chemical Properties]

pale yellow to pale brown powder
[Uses]

Coumalic acid undergoes thermal reaction with 1,3-butadiene to yield dimethyl tricycle[3.2.1.02,7]oct-3-ene-2,4-dicarboxylate.
[Definition]

ChEBI: Coumalic acid is a pyranone.
[General Description]

Decarboxylates to α-pyrone, a Diels-Alder diene.
[Purification Methods]

The acid crystallises from MeOH. The methyl ester has m 73-74o (from pet ether) and b 178-180o/60 mm. [Beilstein 18/8 V 120.]
Spectrum DetailBack Directory
[Spectrum Detail]

Coumalic acid(500-05-0)MS
Coumalic acid(500-05-0)1HNMR
Coumalic acid(500-05-0)IR1
Coumalic acid(500-05-0)IR2
Coumalic acid(500-05-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Coumalic acid, 97%(500-05-0)
[Sigma Aldrich]

500-05-0(sigmaaldrich)
[TCI AMERICA]

Coumalic Acid,>97.0%(GC)(T)(500-05-0)
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