Octahydrobenzofuran-2-One
[CAS 6051-03-2]

Identification

• Name: Octahydrobenzofuran-2-One
• Synonyms: 3A,4,5,6,7,7A-Hexahydro-3H-Benzofuran-2-One; 2(3H)-Benzofuranone, Hexahydro-, (3Ar,7As)-Rel-; 2(3H)-Benzofuranone, Hexahydro-, Trans-
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.18
• CAS Registry Number: 6051-03-2
• EINECS: 227-955-8
• SMILES: O=C2OC1CCCCC1C2
• InChI: 1S/C8H12O2/c9-8-5-6-3-1-2-4-7(6)10-8/h6-7H,1-5H2
• InChIKey: AQKZNTBBGPQPBG-UHFFFAOYSA-N

Properties

• Density: 1.093g/cm³ (Cal.)
• Boiling point: 262.767°C at 760 mmHg (Cal.)
• Flash point: 103.833°C (Cal.)

References

• (1): Niiha Sasakura, Keiji Nakano, Yoshiyasu Ichikawa and Hiyoshizo Kotsuki. A new environmentally friendly method for the Baeyer–Villiger oxidation of cyclobutanones catalyzed by thioureas using HO as an oxidant, RSC Advances, 2012, 2, 6135.