3-(Benzoyloxy)-2-Methyl-4H-Pyran-4-One
[CAS# 6151-06-0]

Identification

• Name: 3-(Benzoyloxy)-2-Methyl-4H-Pyran-4-One
• Synonyms: Cbmicro_017971; Stock1s-70791
• Molecular Formula: C₂₄H₂₀N₄O₂S₂
• Molecular Weight: 460.57
• CAS Registry Number: 6151-06-0
• EINECS: 228-163-5
• SMILES: C6=C(N3C2=NN=C(SCC1=CC=CC=C1)[N]2C4=C(C3=O)C5=C(S4)CCC5)C=CC(=C6)OC
• InChI: 1S/C24H20N4O2S2/c1-30-17-12-10-16(11-13-17)27-21(29)20-18-8-5-9-19(18)32-22(20)28-23(27)25-26-24(28)31-14-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9,14H2,1H3
• InChIKey: VQSJBKJLWYFCCO-UHFFFAOYSA-N

Properties

• Density: 1.484g/cm³ (Cal.)
• Boiling point: 768.257°C at 760 mmHg (Cal.)
• Flash point: 418.427°C (Cal.)