CAS 87822-17-1

1,3-Cyclohexanedione, 5-(3,5-dimethylphenyl)-

Description:

1,3-Cyclohexanedione, 5-(3,5-dimethylphenyl)-, identified by CAS number 87822-17-1, is an organic compound characterized by its bicyclic structure featuring two ketone functional groups. This compound typically exhibits a white to off-white crystalline appearance and is soluble in organic solvents, reflecting its non-polar characteristics due to the presence of the bulky 3,5-dimethylphenyl substituent. The presence of the cyclohexanedione moiety contributes to its potential reactivity, particularly in condensation reactions and as a precursor in organic synthesis. Its molecular structure allows for various applications in the fields of pharmaceuticals, agrochemicals, and materials science. Additionally, the compound may exhibit interesting biological activities, making it a subject of interest for further research. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken. Overall, 1,3-Cyclohexanedione, 5-(3,5-dimethylphenyl)- is a versatile compound with potential utility in various chemical applications.

Formula: C₁₄H₁₆O₂

InChI: InChI=1S/C14H16O2/c1-9-3-10(2)5-11(4-9)12-6-13(15)8-14(16)7-12/h3-5,12H,6-8H2,1-2H3

InChI key: MKXIOMJWYCENJQ-UHFFFAOYSA-N

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

1,3-Cyclohexanedione, 5-(3,5-dimethylphenyl)-

CAS: 87822-17-1

Formula: C₁₄H₁₆O₂

Molecular weight: 216.2756

Ref: IN-DA004EOB