1-Methylethyl 3-Acetyl-2,5-Dihydro-4-Hydroxy-5-Oxo-2-(2-Oxopropyl)-2-Furoate
[CAS# 85237-89-4]

Identification

• Name: 1-Methylethyl 3-Acetyl-2,5-Dihydro-4-Hydroxy-5-Oxo-2-(2-Oxopropyl)-2-Furoate
• Synonyms: Isopropyl 2-Acetonyl-3-Acetyl-4-Hydroxy-5-Oxo-Furan-2-Carboxylate; 2-Acetonyl-3-Acetyl-4-Hydroxy-5-Oxo-2-Furancarboxylic Acid Isopropyl Ester; 2-Acetonyl-3-Acetyl-4-Hydroxy-5-Keto-Furan-2-Carboxylic Acid Isopropyl Ester
• Molecular Formula: C₁₃H₁₆O₇
• Molecular Weight: 284.27
• CAS Registry Number: 85237-89-4
• EINECS: 286-452-1
• SMILES: C(C1(OC(=O)C(=C1C(=O)C)O)C(OC(C)C)=O)C(=O)C
• InChI: 1S/C13H16O7/c1-6(2)19-12(18)13(5-7(3)14)9(8(4)15)10(16)11(17)20-13/h6,16H,5H2,1-4H3
• InChIKey: KUXMLWMHNHWAKG-UHFFFAOYSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 472.734°C at 760 mmHg (Cal.)
• Flash point: 178.004°C (Cal.)