CAS 5601-78-5

2-Methyl-1,3-cycloheptanedione

Description:

2-Methyl-1,3-cycloheptanedione, with the CAS number 5601-78-5, is a cyclic diketone characterized by its seven-membered carbon ring structure containing two carbonyl (C=O) functional groups. This compound features a methyl group attached to one of the carbon atoms in the ring, which influences its reactivity and physical properties. It is typically a colorless to pale yellow liquid with a distinctive odor. The presence of the diketone functionality allows for various chemical reactions, including condensation and oxidation, making it useful in organic synthesis and as an intermediate in the production of other chemical compounds. Its solubility in organic solvents and moderate volatility are notable characteristics, which can affect its handling and application in laboratory settings. Additionally, 2-Methyl-1,3-cycloheptanedione may exhibit biological activity, although specific toxicological data should be consulted for safety assessments. Overall, this compound is of interest in both academic research and industrial applications due to its unique structural features and reactivity.

Formula: C₈H₁₂O₂

InChI: InChI=1S/C8H12O2/c1-6-7(9)4-2-3-5-8(6)10/h6H,2-5H2,1H3

InChI key: InChIKey=XGFOXAXZCFECPI-UHFFFAOYSA-N

SMILES: CC1C(=O)CCCCC1=O

Synonyms:

• 1,3-Cycloheptanedione, 2-methyl-
• 2-Methyl-1,3-cycloheptanedione