Description

Benzeneacetonitrile, 5-(1,1-Dimethylethyl)-2-Hydroxy-α,α-Dimethyl- is a specialized organic nitrile derivative featuring a phenolic hydroxyl group and a tert-butyl substituent. This compound matters as a versatile high-purity chemical intermediate for synthesizing complex molecules where structural precision is critical. It is primarily needed by pharmaceutical R&D and advanced material science sectors for developing active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for central nervous system (CNS) and anti-inflammatory targets.
• Agrochemical Synthesis: Used in the research and development of advanced herbicides and fungicides, leveraging its substituted aromatic structure.
• Liquid Crystal & OLED Material Precursor: Serves as a starting material for creating specialized monomers and charge-transport materials in electronic displays.
• Polymer Modification: Acts as a functional monomer or cross-linking agent to introduce nitrile and phenolic groups into polymer backbones, enhancing thermal and chemical resistance.
• Organic Synthesis Reagent: Employed in academic and industrial research laboratories for constructing complex molecular architectures via cyano-group chemistry.
• Flavor & Fragrance Intermediate: Potential use in the controlled synthesis of high-value aroma chemicals due to its benzonitrile core.

Basic Information

Item	Details
Product Name	Benzeneacetonitrile, 5-(1,1-Dimethylethyl)-2-Hydroxy-α,α-Dimethyl-
CAS No.	1246217-34-4
Molecular Formula	C14H19NO
Molecular Weight	217.31 g/mol
Synonyms	2-Hydroxy-5-tert-butyl-α,α-dimethylbenzeneacetonitrile; 5-tert-Butyl-2-hydroxy-α,α-dimethylphenylacetonitrile; 2-(5-tert-Butyl-2-hydroxyphenyl)-2-methylpropanenitrile; α,α-Dimethyl-5-tert-butyl-2-hydroxybenzeneacetonitrile; 2-Methyl-2-(5-tert-butyl-2-hydroxyphenyl)propionitrile; (5-tert-Butyl-2-hydroxyphenyl)(isopropyl)acetonitrile (common name variant); TBDHPAN (abbreviation)
EINECS	Contact for details

Quality Control

Our Benzeneacetonitrile, 5-(1,1-Dimethylethyl)-2-Hydroxy-α,α-Dimethyl- is produced under a strict quality management system. Every batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment aligns with cGMP principles where applicable, supporting its use in regulated research and development.

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals (as Pb)	≤ 10 ppm
Related Substances (HPLC)	Individual impurity ≤ 0.5%; Total impurities ≤ 1.5%

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