CAS Number500-05-0
Synonyms2-Pyrone-5-carboxylic acid,2-Oxo-2H-pyran-5-carboxylic acid; 6-oxopyran-3-carboxylic acid; α-Pyrone-5-carboxylic Acid; 2-Oxo-2H-pyran-5-carboxylic acid; Cumalic Acid; Coumalic Acid; EINECS 207-899-0; MFCD00006644
Molecular FormulaC6H4O4
Molecular Weight140.09
Purity97%
Density1.5±0.1 g/cm3
Boiling Point218 °C/120 mmHg (lit.)
Melting Point203-205 °C (dec.) (lit.)
Appearancepowder
EINECS207-899-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 500-05-0 |
| Catalog No. | 2A-9007445 |
| Chinese Name | 阔马酸 |
| Synonyms | 2-Pyrone-5-carboxylic acid,2-Oxo-2H-pyran-5-carboxylic acid; 6-oxopyran-3-carboxylic acid; α-Pyrone-5-carboxylic Acid; 2-Oxo-2H-pyran-5-carboxylic acid; Cumalic Acid; Coumalic Acid; EINECS 207-899-0; MFCD00006644 |
| Molecular Formula | C6H4O4 |
| Molecular Weight | 140.09 |
| Purity | 97 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 218 °C/120 mmHg (lit.) |
| Melting Point | 203-205 °C (dec.) (lit.) |
| Appearance | powder |
| Storage Condition | Store sealed and placed in a ventilated, dry envir |
| Application | Coumaric acid is a valuable platform compound that can be prepared from malic acid. Coumaric acid is used in the flavor, fragrance and cosmetic industries as a polymer component and as a scaffold for |
| EINECS | 207-899-0 |
| HTC | 2932.29.5050 |
| PubChem ID | 24893071 |
| MDL Number | MFCD00006644 |
| SMILES | OC(=O)C1=COC(=O)C=C1 |
| InChI | 1S/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9) |
| InChI Key | ORGPJDKNYMVLFL-UHFFFAOYSA-N |
| Beilstein/REAXYS | 119747 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| Safety Description | S22;S24/25 |
| MSDS | msds/7445_1_500_05_0.pdf |
| Bioactivity | Coumalic acid is a valuable platform compound which can be prepared from malic acid. Coumalic acid can be used in the flavours, fragrances and cosmetics industries, as polymer components, and as pharmaceutical scaffolds displaying anti-bronchial and -malarial activity[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Smith LK, et, al. Flow synthesis of coumalic acid and its derivatization. Department of Chemistry. 2018, 3: 722-732. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 282.4±0.0 °C at 760 mmHg Melting Point 203-205 °C (dec.)(lit.) Molecular Formula C6H4O4 Molecular Weight 140.094 Flash Point 137.3±19.4 °C Exact Mass 140.010956 PSA 67.51000 LogP -0.43 Vapour Pressure 0.0±1.2 mmHg at 25°C Index of Refraction 1.577 InChIKey ORGPJDKNYMVLFL-UHFFFAOYSA-N SMILES O=C(O)c1ccc(=O)oc1 |
| Use of | Coumalic acid is a valuable platform compound which can be prepared from malic acid. Coumalic acid can be used in the flavours, fragrances and cosmetics industries, as polymer components, and as pharmaceutical scaffolds displaying anti-bronchial and -malarial activity[1]. Properties Name Coumalic acid Synonym More Synonyms 2-Oxo-2H-pyran-5-carboxylic acid Biological Activity Description Coumalic acid is a valuable platform compound which can be prepared from malic acid. Coumalic acid can be used in the flavours, fragrances and cosmetics industries, as polymer components, and as pharmaceutical scaffolds displaying anti-bronchial and -malarial activity[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Smith LK, et, al. Flow synthesis of coumalic acid and its derivatization. Department of Chemistry. 2018, 3: 722-732. Chemical & Physical Properties Molecular Formula C6H4O4 Exact Mass 140.010956 PSA 67.51000 LogP -0.43 Index of Refraction 1.577 InChIKey ORGPJDKNYMVLFL-UHFFFAOYSA-N |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available |
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