5-Methylcyclohexane-1,3-dione , 98% , 4341-24-6

CAS NO.：4341-24-6

Empirical Formula: C7H10O2

Molecular Weight: 126.15

MDL number: MFCD00010379

PRODUCT Properties

• Melting point: 126-130 °C(lit.)
• Boiling point: 194.28°C (rough estimate)
• Density: 1.0579 (rough estimate)
• refractive index: 1.4660 (estimate)
• storage temp.: Inert atmosphere,Room Temperature
• solubility: Chloroform, Methanol
• pka: 5.29±0.20(Predicted)
• form: Solid
• color: Tan to Light Brown
• BRN: 1099692
• InChI: InChI=1S/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h5H,2-4H2,1H3
• InChIKey: DMIIMPQQPXUKOO-UHFFFAOYSA-N
• SMILES: C1(=O)CC(C)CC(=O)C1
• CAS DataBase Reference: 4341-24-6(CAS DataBase Reference)

Description and Uses

5-Methyl-1,3-cyclohexanedione has been used in the synthesis of:

• racemic (±)-fawcettimine
• 3,6-dimethyl-2-phenylsulfanyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• F: 10
• Hazard Note: Irritant
• HS Code: 29142990