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Basic Information
CAS No.: 41264-06-6
Name: Methyl isodehydroacetate
Article Data: 10
Molecular Structure:
Molecular Structure of 41264-06-6 (Methyl isodehydroacetate)
Formula: C9H10O4
Molecular Weight: 182.176
Synonyms: Isodehydroaceticacid methyl ester;Methyl 4,6-dimethyl-2-pyrone-5-carboxylate;
EINECS: 255-283-5
Density: 1.197 g/cm3
Melting Point: 68-70 °C(lit.)
Boiling Point: 300.268 °C at 760 mmHg
Flash Point: 139.317 °C
Appearance: White needle-like crystals or crystalline powder
Safety: 24/25
PSA: 56.51000
LogP: 1.04320
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Chemistry

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

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

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 .