Description

tert-Octyl Isothiocyanate is a specialized organic compound belonging to the isothiocyanate class, characterized by its branched tert-octyl group. This structural feature imparts unique reactivity and solubility properties, making it a valuable intermediate for synthesizing more complex molecules. It is primarily utilized in the research and development of agrochemicals, pharmaceuticals, and specialty polymers. For precise identification, the CAS number is 17701-76-7.

Application

• Agrochemical Intermediate: A key building block in the synthesis of novel herbicides, fungicides, and plant growth regulators.
• Pharmaceutical Research: Used as a precursor in medicinal chemistry for developing potential therapeutic agents, particularly those targeting specific enzymes.
• Polymer Modification: Serves as a functional monomer or cross-linking agent to introduce thiocarbamate or thiourea linkages into specialty polymer chains.
• Chemical Synthesis: Acts as an electrophilic reagent for introducing the -N=C=S functional group into target molecules in organic synthesis.
• Lubricant & Fuel Additives: Employed in the development of extreme-pressure additives and corrosion inhibitors for industrial lubricants and fuels.

Basic Information

Product Name	tert-Octyl Isothiocyanate
CAS No.	17701-76-7
Molecular Formula	C9H17NS
Molecular Weight	171.30 g/mol
Synonyms	1,1,3,3-Tetramethylbutyl isothiocyanate; 2,4,4-Trimethylpentan-2-yl isothiocyanate; tert-Octyl mustard oil; (1,1,3,3-Tetramethylbutyl)isothiocyanate; 2-(1,1-Dimethylethyl)-2-methylpropyl isothiocyanate; Isothiocyanic acid, 1,1,3,3-tetramethylbutyl ester
EINECS	Contact for details

Quality Control

Our tert-Octyl Isothiocyanate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including identity confirmation by FT-IR, purity assessment by GC or HPLC, and verification of key physical parameters. Certificates of Analysis (COA) documenting these results are provided to ensure traceability and compliance with your research or production specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat sources and incompatible materials. Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use to prevent evaporation and maintain purity. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC/HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Density (20°C)	~0.89 g/mL
Refractive Index (20°C)	~1.48

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