3,3,6,6-Tetramethyl-4,5-Oxepanedione
[CAS# 42031-65-2]

Identification

• Name: 3,3,6,6-Tetramethyl-4,5-Oxepanedione
• Synonyms: 3,3,6,6-Tetramethyloxepane-4,5-Quinone; 1,2-Cycloheptanedione, 5-Oxa-3,3,7,7-Tetramethyl-; 4,5-Oxepanedione, 3,3,6,6-Tetramethyl-
• Molecular Formula: C₁₀H₁₆O₃
• Molecular Weight: 184.23
• CAS Registry Number: 42031-65-2
• SMILES: CC1(C(=O)C(=O)C(COC1)(C)C)C
• InChI: 1S/C10H16O3/c1-9(2)5-13-6-10(3,4)8(12)7(9)11/h5-6H2,1-4H3
• InChIKey: QRVXEZHTOOKHIF-UHFFFAOYSA-N

Properties

• Density: 0.996g/cm³ (Cal.)
• Boiling point: 253.517°C at 760 mmHg (Cal.)
• Flash point: 105.12°C (Cal.)