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Cas Database |
| Name |
Methyl coumalate |
EINECS | 227-871-1 |
| CAS No. | 6018-41-3 | Density | 1.326 g/cm3 |
| PSA | 56.51000 | LogP | 0.42640 |
| Solubility | N/A | Melting Point |
65-67ºC |
| Formula | C7H6 O4 | Boiling Point | 265.9 °C at 760 mmHg |
| Molecular Weight | 154.122 | Flash Point | 137 °C |
| Transport Information | N/A | Appearance | WHITE TO TAN POWDER OR CRYSTALS |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Glutaconicacid, 4-(hydroxymethylene)-, d-lactone, methyl ester (7CI); 5-(Carbomethoxy)-2-pyrone; 5-(Methoxycarbonyl)-2-pyrone;Coumalic acid methyl ester; Cumalic acid methyl ester; Methyl2-oxo-2H-pyran-5-carboxylate; Methyl 2-pyrone-5-carboxylate; Methyl coumalate;Methyl cumalate; NSC 137387; NSC 34627 |
Article Data | 18 |
Methyl coumalate Chemical Properties
Product Name: Methyl coumalate (CAS NO.6018-41-3)
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Molecular Formula: C7H6O4
Molecular Weight: 154.12g/mol
Mol File: 6018-41-3.mol
EINECS: 227-871-1
Melting Point: 65-67 °C(lit.)
Boiling point: 265.9 °C at 760 mmHg
Flash Point: 137 °C
Density: 1.326 g/cm3
Index of Refraction: 1.513 Molar Refractivity: 34.94 cm3
Molar Volume: 116.1 cm3
Surface Tension: 46.4 dyne/cm
Enthalpy of Vaporization: 50.38 kJ/mol
Vapour Pressure: 0.00893 mmHg at 25°C
XLogP3-AA: 0.4
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Methyl coumalate (CAS NO.6018-41-3):
IUPAC Name: methyl 6-oxopyran-3-carboxylate
Canonical SMILES: COC(=O)C1=COC(=O)C=C1
InChI: InChI=1S/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3
InChIKey: HHWWWZQYHPFCBY-UHFFFAOYSA-N
Product Categories: Heterocycles series; Esters; Ring Systems
Methyl coumalate Safety Profile
Safety Information of Methyl coumalate (CAS NO.6018-41-3):
WGK Germany: 3
Methyl coumalate Specification
Methyl coumalate , its CAS NO. is 6018-41-3, the synonyms are Coumalic acid, methyl ester ; 2H-Pyran-5-carboxylic acid, 2-oxo-, methyl ester (8CI)(9CI) ; Methyl 2-oxo-2H-pyran-5-carboxylate .
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