5-(2-Methoxyphenyl)-1,3-Cyclohexanedione
[CAS# 55579-77-6]

Identification

• Name: 5-(2-Methoxyphenyl)-1,3-Cyclohexanedione
• Synonyms: 5-(2-methoxyphenyl)cyclohexane-1,3-dione; 5-(2-Methoxy-phenyl)-cyclohexane-1,3-dione; MFCD20502485
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.25
• CAS Registry Number: 55579-77-6
• SMILES: COC1=CC=CC=C1C2CC(=O)CC(=O)C2
• InChI: 1S/C13H14O3/c1-16-13-5-3-2-4-12(13)9-6-10(14)8-11(15)7-9/h2-5,9H,6-8H2,1H3
• InChIKey: KDFGJXOGEXWKQI-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 380.0±42.0°C at 760 mmHg (Cal.)
• Flash point: 170.2±27.9°C (Cal.)

Safety Data

• Safety Description: IRRITANT