5-(3-Methylphenyl)-1,3-cyclohexanedione
[CAS# 762243-26-5]

Identification

• Name: 5-(3-Methylphenyl)-1,3-cyclohexanedione
• Synonyms: 1,3-cyclohexanedione, 5-(3-methylphenyl); 5-(3-methylphenyl)-1,3-cyclohexanedione; 5-(3-methylphenyl)cyclohexane-1,3-dione
• Molecular Formula: C₁₃H₁₄O₂
• Molecular Weight: 202.25
• CAS Registry Number: 762243-26-5
• SMILES: CC1=CC(=CC=C1)C2CC(=O)CC(=O)C2
• InChI: 1S/C13H14O2/c1-9-3-2-4-10(5-9)11-6-12(14)8-13(15)7-11/h2-5,11H,6-8H2,1H3
• InChIKey: PNVNVCYTGLOTGK-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 369.4±42.0°C at 760 mmHg (Cal.)
• Flash point: 138.6±24.9°C (Cal.)
• Refractive index: 1.549 (Cal.)

Safety Data

• Safety Description: IRRITANT