CAS 7333-23-5

2,2,6-Trimethyl-3,5-heptanedione

Description:

2,2,6-Trimethyl-3,5-heptanedione, with the CAS number 7333-23-5, is an organic compound characterized by its diketone structure, featuring two carbonyl (C=O) groups located at the 3 and 5 positions of a heptane chain. This compound is a colorless to pale yellow liquid with a distinctive sweet, fruity odor, often associated with diketones. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic nature. The presence of multiple methyl groups contributes to its steric hindrance, influencing its reactivity and stability. 2,2,6-Trimethyl-3,5-heptanedione is utilized in various applications, including as a flavoring agent and in the synthesis of other organic compounds. Its chemical properties allow it to participate in various reactions, such as condensation and oxidation, making it a valuable intermediate in organic synthesis. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested.

Formula: C₁₀H₁₈O₂

InChI: InChI=1S/C10H18O2/c1-7(2)8(11)6-9(12)10(3,4)5/h7H,6H2,1-5H3

InChI key: InChIKey=KLKRGCUPZROPPO-UHFFFAOYSA-N

SMILES: C(C(C(C)(C)C)=O)C(C(C)C)=O

Synonyms:

• Isobutyrylpivaloylmethane
• NSC 18755
• 2,2,6-Trimethyl-3,5-heptanedione
• 3,5-Heptanedione, 2,2,6-trimethyl-