Description

tert-Octyl Isocyanate is a versatile aliphatic isocyanate monomer characterized by its sterically hindered structure. This compound is a critical building block in the synthesis of high-performance polymers and specialty chemicals, offering enhanced stability and tailored reactivity. It is primarily utilized by R&D chemists and process engineers in the agrochemical, pharmaceutical, and advanced materials sectors for creating custom urethanes, amides, and other functional derivatives.

Application

• Agrochemical Intermediates: Key starting material for the synthesis of herbicidal and pesticidal carbamates and ureas, leveraging its reactivity with amines and alcohols.
• Pharmaceutical Synthesis: Used in the preparation of active pharmaceutical ingredients (APIs) and drug conjugates, where its bulky tert-octyl group can influence pharmacokinetic properties.
• Polymer Modification: Serves as a cross-linking agent or chain extender in polyurethane and polyurea systems, contributing to improved mechanical and chemical resistance.
• Specialty Coatings & Adhesives: Incorporated into formulations for high-durability coatings, sealants, and adhesives that require weatherability and hydrolysis resistance.
• Chemical Research & Development: A valuable reagent for introducing the isocyanate functional group into complex molecules in academic and industrial R&D settings.
• Surface Treatment Agents: Used to modify surface properties of materials, such as glass or metals, by forming covalently bonded organic layers.

Basic Information

Product Name	tert-Octyl Isocyanate
CAS No.	1611-57-0
Molecular Formula	C9H17NO
Molecular Weight	155.24 g/mol
Synonyms	1,1,3,3-Tetramethylbutyl isocyanate; 2,2,4,4-Tetramethylpentyl isocyanate; Isocyanic acid, 1,1,3,3-tetramethylbutyl ester; tert-Octylisocyanate; NSC 163045; (1,1,3,3-Tetramethylbutyl) isocyanate
EINECS	Contact for details

Quality Control

Our tert-Octyl Isocyanate is manufactured under strict quality management protocols. Every batch undergoes comprehensive analytical testing, including assay by GC or HPLC, identity confirmation (IR), and impurity profiling, to ensure it meets the high-purity standards required for sensitive chemical synthesis. A detailed Certificate of Analysis (COA) is provided with each shipment, and we support compliance with relevant regulatory frameworks such as REACH.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated area. Recommended storage temperature is 2-8°C to minimize degradation and maintain stability. Keep away from strong bases, oxidizing agents, and sources of heat or ignition.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms
Assay (GC)	≥ 98.0%
Water Content (KF)	≤ 0.1%
Density (at 20°C)	~0.88 g/mL
Refractive Index (n20D)	~1.425

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