(3S)-3-Methyl-2,5-hexanedione
[CAS# 600726-89-4]

Identification

• Name: (3S)-3-Methyl-2,5-hexanedione
• Synonyms: 2,5-Hexanedione, 3-methyl-, (3S)-
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.17
• CAS Registry Number: 600726-89-4
• SMILES: C[C@@H](CC(=O)C)C(=O)C
• InChI: 1S/C7H12O2/c1-5(7(3)9)4-6(2)8/h5H,4H2,1-3H3/t5-/m0/s1
• InChIKey: NLLILAUVOOREKR-YFKPBYRVSA-N

Properties

• Density: 0.924g/cm³ (Cal.)
• Boiling point: 200.527°C at 760 mmHg (Cal.)
• Flash point: 70.987°C (Cal.)
• Refractive index: 1.412 (Cal.)