CAS 1540-38-1

3-(1-Methylethyl)-2,4-pentanedione

Description:

3-(1-Methylethyl)-2,4-pentanedione, also known as acetylacetone isomer, is an organic compound characterized by its diketone structure, featuring two carbonyl groups (C=O) within a five-carbon chain. This compound is typically a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic alkyl substituent. The presence of the isopropyl group contributes to its unique reactivity, making it a useful ligand in coordination chemistry, particularly in the formation of metal complexes. Additionally, 3-(1-Methylethyl)-2,4-pentanedione exhibits keto-enol tautomerism, allowing it to exist in equilibrium between its keto and enol forms, which can influence its chemical behavior and reactivity. This compound is often utilized in various applications, including as a solvent, in organic synthesis, and in the production of pharmaceuticals and agrochemicals. Safety precautions should be observed when handling this substance, as it may pose health risks upon exposure.

Formula: C₈H₁₄O₂

InChI: InChI=1S/C8H14O2/c1-5(2)8(6(3)9)7(4)10/h5,8H,1-4H3

InChI key: InChIKey=BPIHCIRSGQKCLT-UHFFFAOYSA-N

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

Synonyms:

• 2,4-Pentanedione, 3-(1-methylethyl)-
• Isopropylacetylacetone
• 2,4-Pentanedione, 3-isopropyl-
• 3-(1-Methylethyl)-2,4-pentanedione
• 3-Isopropyl-2,4-pentanedione