3-(2-Methylbenzyl)-2,4-pentanedione
[CAS# 791809-51-3]

Identification

• Name: 3-(2-Methylbenzyl)-2,4-pentanedione
• Synonyms: 3-(2-methylbenzyl)pentane-2,4-dione
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.26
• CAS Registry Number: 791809-51-3
• SMILES: Cc1ccccc1CC(C(=O)C)C(=O)C
• InChI: 1S/C13H16O2/c1-9-6-4-5-7-12(9)8-13(10(2)14)11(3)15/h4-7,13H,8H2,1-3H3
• InChIKey: JYKGBHHJWYORHZ-UHFFFAOYSA-N

Properties

• Density: 1.026g/cm³ (Cal.)
• Boiling point: 306.493°C at 760 mmHg (Cal.)
• Flash point: 114.583°C (Cal.)
• Refractive index: 1.506 (Cal.)