Description

3-Methylbutyl Isothiocyanate is a versatile organic compound belonging to the isothiocyanate family, characterized by its reactive N=C=S functional group. This compound is valued for its role as a key synthetic intermediate and flavor/aroma precursor in high-value manufacturing processes. It is primarily sought by industries involved in the production of specialty chemicals, flavor and fragrance compounds, and advanced agrochemicals.

Application

• Flavor and Fragrance Synthesis: Serves as a crucial precursor for creating sulfur-containing flavor compounds, particularly in the development of savory, alliaceous, and mustard-like notes for food and beverage applications.
• Agrochemical Intermediates: Used in the synthesis of novel pesticides, herbicides, and fungicides, leveraging its bioactive isothiocyanate moiety.
• Pharmaceutical Research: Acts as a building block in medicinal chemistry for the development of new drug candidates, especially those targeting enzymes via covalent modification.
• Chemical Synthesis: Employed as an alkylating agent or a versatile intermediate in organic synthesis for producing heterocyclic compounds and other specialty chemicals.
• Analytical Chemistry: Can be used as a derivatization agent for the analysis of amines, thiols, and other nucleophiles via HPLC or GC.

Basic Information

Product Name	3-Methylbutyl Isothiocyanate
CAS No.	628-03-5
Molecular Formula	C6H11NS
Molecular Weight	129.22 g/mol
Synonyms	Isoamyl Isothiocyanate; Isopentyl Isothiocyanate; 3-Methylbutyl Mustard Oil; (3-Methylbutyl) Isothiocyanate; Isothiocyanic Acid 3-Methylbutyl Ester; 1-Isothiocyanato-3-methylbutane; 628-03-5
EINECS	211-017-6

Quality Control

Our 3-Methylbutyl Isothiocyanate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chromatographic purity analysis and identity confirmation, to ensure it meets the high standards required for industrial and research applications. A Certificate of Analysis (COA) detailing specific results for purity, identity, and other critical parameters is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from strong bases and incompatible materials such as strong oxidizing agents. Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use. 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 reference spectrum
Assay (GC)	≥ 98.0%
Refractive Index (n20D)	1.508 - 1.512
Specific Gravity (20°C)	0.950 - 0.970

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