7-Tert-Butyloxepan-2-One
[CAS# 57512-44-4]

Identification

• Name: 7-Tert-Butyloxepan-2-One
• Synonyms: 7-Tert-Butyl-2-Oxepanone
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25
• CAS Registry Number: 57512-44-4
• EINECS: 260-776-3
• SMILES: CC(C1OC(=O)CCCC1)(C)C
• InChI: 1S/C10H18O2/c1-10(2,3)8-6-4-5-7-9(11)12-8/h8H,4-7H2,1-3H3
• InChIKey: GFKHGDDHRNDUDP-UHFFFAOYSA-N

Properties

• Density: 0.957g/cm³ (Cal.)
• Boiling point: 239.546°C at 760 mmHg (Cal.)
• Flash point: 92.092°C (Cal.)

References

• (1): María Yolanda Ríos, Enrique Salazar and Horacio F. Olivo. Baeyer–Villiger oxidation of substituted cyclohexanones via lipase-mediated perhydrolysis utilizing urea–hydrogen peroxide in ethyl acetate, Green Chem., 2007, 9, 459.