279951

5-Methyl-1,3-cyclohexanedione

98%

• Linear Formula: CH₃C₆H₇(=O)₂
• CAS Number: 4341-24-6
• Molecular Weight: 126.15
• Beilstein/REAXYS Number: 1099692
• MDL number: MFCD00010379
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856918
• NACRES: NA.22

Properties

• assay: 98%
• mp: 126-130 °C (lit.)
• SMILES string: CC1CC(=O)CC(=O)C1
• InChI: 1S/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h5H,2-4H2,1H3
• InChI key: DMIIMPQQPXUKOO-UHFFFAOYSA-N

Description

Application

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 Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves