2,2,4-Trimethyl-3-Oxovaleric Acid 2-Methylallyl Ester
[CAS# 4387-61-5]

Identification

• Name: 2,2,4-Trimethyl-3-Oxovaleric Acid 2-Methylallyl Ester
• Synonyms: 2-Methylprop-2-Enyl 2,2,4-Trimethyl-3-Oxo-Pentanoate; 2,2,4-Trimethyl-3-Oxopentanoic Acid 2-Methylprop-2-Enyl Ester; 3-Keto-2,2,4-Trimethyl-Valeric Acid 2-Methylprop-2-Enyl Ester
• Molecular Formula: C₁₂H₂₀O₃
• Molecular Weight: 212.29
• CAS Registry Number: 4387-61-5
• SMILES: C(OC(=O)C(C)(C)C(=O)C(C)C)C(=C)C
• InChI: 1S/C12H20O3/c1-8(2)7-15-11(14)12(5,6)10(13)9(3)4/h9H,1,7H2,2-6H3
• InChIKey: FSXGYMLVUVNGJH-UHFFFAOYSA-N

Properties

• Density: 0.954g/cm³ (Cal.)
• Boiling point: 270.785°C at 760 mmHg (Cal.)
• Flash point: 111.537°C (Cal.)