Coumalic acid
Synonym(s):2-Oxo-2H-pyran-5-carboxylic acid;2-Pyrone-5-carboxylic acid
- CAS NO.：500-05-0
- Empirical Formula: C6H4O4
- Molecular Weight: 140.09
- MDL number: MFCD00006644
- EINECS: 207-899-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-20 11:41:24
What is Coumalic acid?
Chemical properties
pale yellow to pale brown powder
The Uses of Coumalic acid
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.]
Properties of Coumalic acid
| Melting point: | 203-205 °C (dec.) (lit.) |
| Boiling point: | 218 °C/120 mmHg (lit.) |
| Density | 1.2154 (rough estimate) |
| refractive index | 1.4434 (estimate) |
| Flash point: | 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 |
| 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 | 2H-Pyran-5-carboxylic acid, 2-oxo- (500-05-0) |
Safety information for Coumalic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for Coumalic acid
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