-
Name
Methyl coumalate
- EINECS 227-871-1
- CAS No. 6018-41-3
- Article Data18
- CAS DataBase
- Density 1.326 g/cm3
- Solubility
- 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
- Appearance WHITE TO TAN POWDER OR CRYSTALS
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 56.51000
- LogP 0.42640
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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