2-Methyl-4-Oxo-4H-Pyran-3-Yl Isovalerate
[CAS# 94021-97-3]

Identification

• Name: 2-Methyl-4-Oxo-4H-Pyran-3-Yl Isovalerate
• Synonyms: (2-Methyl-4-Oxo-Pyran-3-Yl) 3-Methylbutanoate; 3-Methylbutanoic Acid (2-Methyl-4-Oxo-3-Pyranyl) Ester; 3-Methylbutyric Acid (4-Keto-2-Methyl-Pyran-3-Yl) Ester
• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23
• CAS Registry Number: 94021-97-3
• EINECS: 301-489-6
• SMILES: C(C(C)C)C(OC1=C(OC=CC1=O)C)=O
• InChI: 1S/C11H14O4/c1-7(2)6-10(13)15-11-8(3)14-5-4-9(11)12/h4-5,7H,6H2,1-3H3
• InChIKey: RUJFQPWLSZMPNC-UHFFFAOYSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 335.793°C at 760 mmHg (Cal.)
• Flash point: 148.325°C (Cal.)