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Cas Database |
| Name |
Methyl isodehydroacetate |
EINECS | 255-283-5 |
| CAS No. | 41264-06-6 | Density | 1.197 g/cm3 |
| PSA | 56.51000 | LogP | 1.04320 |
| Solubility | N/A | Melting Point |
68-70 °C(lit.) |
| Formula | C9H10O4 | Boiling Point | 300.268 °C at 760 mmHg |
| Molecular Weight | 182.176 | Flash Point | 139.317 °C |
| Transport Information | N/A | Appearance | White needle-like crystals or crystalline powder |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Isodehydroaceticacid methyl ester;Methyl 4,6-dimethyl-2-pyrone-5-carboxylate; |
Article Data | 10 |
Methyl isodehydroacetate Chemical Properties
Product Name: Methyl isodehydroacetate (CAS NO.41264-06-6)
Molecular Formula: C9H10O4
Molecular Weight: 182.17g/mol
Mol File: 41264-06-6.mol
EINECS: 255-283-5
Appearance: 68-70 °C(lit.)
Boiling point: 300.3 °C at 760 mmHg
Flash Point: 139.3 °C
Density: 1.197 g/cm3
Index of Refraction: 1.494 Molar Refractivity: 44.35 cm3
Molar Volume: 152.1 cm3
Surface Tension: 37.2 dyne/cm
Enthalpy of Vaporization: 54.03 kJ/mol
Vapour Pressure: 0.00113 mmHg at 25°C
XLogP3-AA: 0.6
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Methyl isodehydroacetate (CAS NO.41264-06-6):
IUPAC Name: methyl 2,4-dimethyl-6-oxopyran-3-carboxylate
Canonical SMILES: CC1=CC(=O)OC(=C1C(=O)OC)C
InChI: InChI=1S/C9H10O4/c1-5-4-7(10)13-6(2)8(5)9(11)12-3/h4H,1-3H3
InChIKey: VLYBFLKIZIACQH-UHFFFAOYSA-N
Product Categories: Acetics acid and esters
Methyl isodehydroacetate Safety Profile
Safety Information of Methyl isodehydroacetate (CAS NO.41264-06-6):
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Methyl isodehydroacetate Specification
Methyl isodehydroacetate , its CAS NO. is 41264-06-6, the synonym is 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester ; Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate .
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