W330507

3-Methyl-1,2-cyclohexanedione

≥98%, FG

• Synonym(s): coffee dione
• Linear Formula: CH₃C₆H₇(=O)₂
• CAS Number: 3008-43-3
• Molecular Weight: 126.15
• FEMA Number: 3305
• EC Number: 221-122-2
• Council of Europe no.: 2311
• MDL number: MFCD00209518
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901626
• Flavis number: 7.080
• NACRES: NA.21
• organoleptic: bread; burnt; caramel; coffee; maple
• grade: FG; Halal
• biological source: synthetic
• agency: meets purity specifications of JECFA
• food allergen: no known allergens

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Halal
• agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002
• assay: ≥98%
• bp: 69-72 °C/1 mmHg (lit.)
• mp: 61-63 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: bread; burnt; caramel; coffee; maple
• SMILES string: CC1CCCC(=O)C1=O
• InChI: 1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3
• InChI key: JDXJKLGWPNXSHL-UHFFFAOYSA-N
• Gene Information: human ... ACHE(43) , BCHE(590) , CES1(1066)

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)