(3S,6S,9S)-3,6,9-Trimethyl-1,4,7-trioxonane-2,5,8-trione
[CAS# 777094-51-6]

Identification

• Name: (3S,6S,9S)-3,6,9-Trimethyl-1,4,7-trioxonane-2,5,8-trione
• Synonyms: (3S,6S,9S)-3,6,9-trimethyl-1,4,7-trioxonane-2,5,8-trione
• Molecular Formula: C₉H₁₂O₆
• Molecular Weight: 216.19
• CAS Registry Number: 777094-51-6
• SMILES: C[C@H]1C(=O)O[C@H](C(=O)O[C@H](C(=O)O1)C)C
• InChI: 1S/C9H12O6/c1-4-7(10)14-6(3)9(12)15-5(2)8(11)13-4/h4-6H,1-3H3/t4-,5-,6-/m0/s1
• InChIKey: VYBCWGCXACXTOD-ZLUOBGJFSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 412.38°C at 760 mmHg (Cal.)
• Flash point: 187.977°C (Cal.)
• Refractive index: 1.429 (Cal.)