Deisopropylngaione
[CAS# 41059-85-2]

Identification

• Name: Deisopropylngaione
• Synonyms: 1-[(2R,5S)-5-(3-Furyl)-2-Methyl-Tetrahydrofuran-2-Yl]Propan-2-One; 1-[(2R,5S)-5-(3-Furyl)-2-Methyl-2-Tetrahydrofuranyl]Propan-2-One; 1-[(2R,5S)-5-(3-Furyl)-2-Methyl-Tetrahydrofuran-2-Yl]Acetone
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.26
• CAS Registry Number: 41059-85-2
• SMILES: [C@@H]1(O[C@@](CC(C)=O)(CC1)C)C2=COC=C2
• InChI: 1S/C12H16O3/c1-9(13)7-12(2)5-3-11(15-12)10-4-6-14-8-10/h4,6,8,11H,3,5,7H2,1-2H3/t11-,12+/m0/s1
• InChIKey: YKWSUSNJLLZKDK-NWDGAFQWSA-N

Properties

• Density: 1.061g/cm³ (Cal.)
• Boiling point: 302.699°C at 760 mmHg (Cal.)
• Flash point: 136.868°C (Cal.)