Description

1-Phenylpentane-1,3-Dione (CAS NO 5331-64-6) is a versatile diketone compound characterized by its phenyl and pentanedione functional groups. This structure makes it a valuable chemical intermediate and building block for synthesizing more complex organic molecules. It is primarily sought after by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and specialty chemical sectors for applications in heterocyclic chemistry and material science.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of various heterocyclic compounds, including pyrazoles and isoxazoles, which are core structures in active pharmaceutical ingredients (APIs).
• Agrochemical Synthesis: Used in the development of novel pesticides and herbicides, leveraging its reactivity to create complex molecular architectures.
• Coordination Chemistry & Chelating Agent: Acts as a β-diketone ligand for metal ions, useful in the preparation of catalysts and metal-organic frameworks (MOFs).
• Organic Synthesis Building Block: Employed in Claisen condensations and other carbon-carbon bond-forming reactions to construct complex organic molecules.
• Flavor & Fragrance Industry: Potential intermediate for the synthesis of aroma chemicals, though specific applications require further qualification.
• Material Science Research: Investigated as a monomer or cross-linking agent in the development of polymers with specific thermal or optical properties.

Basic Information

Product Name	1-Phenylpentane-1,3-Dione
CAS No.	5331-64-6
Molecular Formula	C11H12O2
Molecular Weight	176.21 g/mol
Synonyms	1-Phenyl-1,3-pentanedione; Benzoylacetone; 1-Phenylpentane-1,3-dione; 3-Oxo-1-phenylpentan-1-one; Phenyl pentane-1,3-dione; 1-Phenyl-1,3-butanedione (common misnomer); BZAC; 4-Phenyl-2,4-butanedione
EINECS	226-230-3

Quality Control

Our 1-Phenylpentane-1,3-Dione is produced under a strict quality management system. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We adhere to cGMP principles where applicable to support our customers in regulated industries.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be kept in amber glass or opaque packaging.

Specification

Item	Specification
Appearance	Yellow to pale yellow crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Melting Point	60 - 65 °C
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.