Description

1-Methyl-1-Phenylethyl Isobutyrate is a specialized organic ester compound valued for its unique sterically hindered structure. This molecular architecture makes it a versatile intermediate and building block in advanced organic synthesis. It is primarily sought by R&D laboratories and chemical manufacturers in the pharmaceutical, agrochemical, and fragrance industries for developing novel compounds and fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly where a bulky ester group is required to influence pharmacokinetics.
• Agrochemical Synthesis: Used in the production of advanced pesticides and herbicides, where its structure can contribute to product stability and efficacy.
• Flavor & Fragrance Ingredient: Acts as a precursor or modifier in the creation of complex aromatic esters for high-value perfumery and flavor compositions.
• Polymer Chemistry: Employed as a monomer or chain transfer agent in the production of specialty polymers with tailored properties.
• Organic Synthesis Reagent: Utilized in academic and industrial R&D for introducing the 1-methyl-1-phenylethyl (cumyl) group into target molecules.
• Cross-coupling Reactions: Functions as a substrate in palladium-catalyzed and other metal-mediated coupling reactions to construct complex molecular architectures.

Basic Information

Product Name	1-Methyl-1-Phenylethyl Isobutyrate
CAS No.	7774-60-9
Molecular Formula	C₁₃H₁₈O₂
Molecular Weight	206.28 g/mol
Synonyms	Cumyl Isobutyrate; α,α-Dimethylbenzyl Isobutyrate; (1-Methyl-1-phenylethyl) 2-methylpropanoate; 2-Methyl-1-phenylpropyl-2-propionate; Isobutyric Acid 1-Methyl-1-Phenylethyl Ester; Phenyl-tert-butyl Isobutyrate; EINECS 231-871-7
EINECS	231-871-7

Quality Control

Our 1-Methyl-1-Phenylethyl Isobutyrate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including assay by GC/HPLC, identity confirmation (IR, NMR), and impurity profiling to ensure it meets exacting standards for research and industrial use. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from strong oxidizing agents, strong acids, and strong bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Refractive Index (20°C)	1.485 - 1.495
Density (20°C)	0.98 - 1.02 g/mL

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