CAS 3318-61-4: 1-Phenyl-2,4-pentanedione

Description: 1-Phenyl-2,4-pentanedione, also known as acetylacetone phenyl derivative, is an organic compound characterized by its diketone structure, featuring two carbonyl (C=O) groups flanked by a phenyl group and a pentanedione backbone. This compound typically appears as a yellow to amber liquid or solid, depending on its purity and temperature. It is soluble in organic solvents such as ethanol, acetone, and chloroform, but has limited solubility in water due to its hydrophobic phenyl group. The presence of the diketone functional groups allows for chelation with metal ions, making it useful in coordination chemistry and as a ligand in various applications. Additionally, 1-Phenyl-2,4-pentanedione exhibits potential biological activity, including antimicrobial and antioxidant properties. Its reactivity can be attributed to the enolization of the diketone, which can participate in various chemical reactions, including condensation and polymerization. Overall, this compound is of interest in both synthetic organic chemistry and materials science due to its versatile chemical behavior.

Formula: C₁₁H₁₂O₂

InChI: InChI=1S/C11H12O2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChI key: InChIKey=NROOHYGFTHTDFF-UHFFFAOYSA-N

SMILES: O=C(C)CC(=O)CC=1C=CC=CC1

Synonyms:

• (Phenylacetyl)acetone
• 1-Benzyl-1,3-butanedione
• 1-Phenyl-2,4-pentanedione
• 2,4-Pentanedione, 1-phenyl-
• 1-Phenylpentane-2,4-dione

1-Phenylpentane-2,4-dione, 98%

CAS: 3318-61-4

• Formula: C11H12O2
• Color and Shape: Light-yellow to yellow liquid
• Molecular weight: 176.21

1-PHENYL-2,4-PENTANEDIONE

CAS: 3318-61-4

• Formula: C₁₁H₁₂O₂
• Purity: 98%
• Color and Shape: Liquid
• Molecular weight: 176.2118

1-Phenylpentane-2,4-dione

CAS: 3318-61-4

• Purity: 95.0%
• Molecular weight: 176.21499633789062

1-Phenylpentane-2,4-dione

CAS: 3318-61-4

Versatile small molecule scaffold

• Formula: C₁₁H₁₂O₂
• Purity: Min. 95%
• Molecular weight: 176.21 g/mol