5,5-Dimethyl-1,3-cyclohexanedione

• CAS: 126-81-8
• Catalog Number: ACM126818
• Category: Other Products
• Molecular Weight: 140.18
• Molecular Formula: C₈H₁₂O₂
• Synonyms: Dimedone
• IUPAC Name: 5,5-Dimethylcyclohexane-1,3-dione
• Canonical SMILES: CC1(CC(=O)CC(=O)C1)C
• InChI: InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
• InChI Key: BADXJIPKFRBFOT-UHFFFAOYSA-N
• Boiling Point: 216.69 °C
• Melting Point: 146-148 °C
• Density: 1.0373 g/mL at 25 °C(lit.)
• Exact Mass: 140.083729621
• Monoisotopic Mass: 140.083729621
• Physical State: Liquid
• Refractive Index: n20/D 1.4787(lit.)
• Storage Conditions: Dark place,inert atmosphere,Room Temperature
• Topological Polar Surface Area: 34.1 Ų