CAS 87822-19-3

1,3-Cyclohexanedione, 5-(2,3,5-trimethylphenyl)-

Description:

1,3-Cyclohexanedione, 5-(2,3,5-trimethylphenyl)-, identified by its CAS number 87822-19-3, is an organic compound characterized by its bicyclic structure featuring a cyclohexanedione core substituted with a 2,3,5-trimethylphenyl group. This compound typically exhibits a solid state at room temperature and is soluble in organic solvents, reflecting its hydrophobic nature due to the bulky aromatic substituent. The presence of two carbonyl groups in the cyclohexanedione framework contributes to its reactivity, allowing for potential applications in organic synthesis and as an intermediate in the production of various chemical compounds. Additionally, the trimethylphenyl substituent enhances its steric bulk, which can influence its chemical behavior and interactions with other molecules. The compound may also exhibit interesting optical properties, making it of interest in materials science and dye applications. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards.

Formula: C₁₅H₁₈O₂

InChI: InChI=1S/C15H18O2/c1-9-4-10(2)11(3)15(5-9)12-6-13(16)8-14(17)7-12/h4-5,12H,6-8H2,1-3H3

InChI key: RDZHGUMHIAAULX-UHFFFAOYSA-N

SMILES: CC1=CC(=C(C(=C1)C2CC(=O)CC(=O)C2)C)C