Description

Octyl Isothiocyanate is a versatile organic compound belonging to the isothiocyanate class, characterized by an eight-carbon alkyl chain. This structure makes it a valuable intermediate and functional additive in various high-value chemical syntheses. It is particularly sought after by manufacturers in the agrochemical, pharmaceutical, and specialty chemical industries for its role in creating compounds with specific biological or material properties.

Application

• Agrochemical Intermediate: Serves as a key building block in the synthesis of novel pesticides, herbicides, and fungicides, leveraging its bioactive isothiocyanate functional group.
• Pharmaceutical Synthesis: Used as a precursor in the development of active pharmaceutical ingredients (APIs) and diagnostic agents, where the octyl chain can influence lipophilicity and bioavailability.
• Polymer Modification: Acts as a cross-linking agent or functional monomer to introduce specific chemical properties into polymers, coatings, and adhesives.
• Chemical Research & Development: Employed in organic synthesis as a reagent for introducing the isothiocyanate moiety into more complex molecular architectures.
• Flavor & Fragrance Industry: Can be used in the controlled synthesis of certain sulfur-containing aroma compounds, subject to purity and regulatory compliance.
• Corrosion Inhibitor Formulation: Finds application as a component in specialty formulations designed to protect metal surfaces in industrial settings.

Basic Information

Product Name	Octyl Isothiocyanate
CAS No.	4430-45-9
Molecular Formula	C9H17NS
Molecular Weight	171.30 g/mol
Synonyms	1-Isothiocyanatooctane; n-Octyl Isothiocyanate; Caprylyl Isothiocyanate; Octane, 1-Isothiocyanato-; NSC 401119; Isothiocyanic Acid, Octyl Ester; Octyl Mustard Oil
EINECS	224-624-6

Quality Control

Our Octyl Isothiocyanate is produced and tested under a stringent quality management system. Each batch is analyzed to ensure it meets precise chemical and physical specifications, with purity typically exceeding 97% (by GC). A comprehensive Certificate of Analysis (COA) detailing identity, assay, and impurity profiles is provided with every shipment to guarantee batch-to-batch consistency and traceability for our B2B partners.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be kept in the original packaging or an opaque secondary container until use.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 97.0%
Refractive Index (n20D)	1.470 - 1.480
Density (g/mL, 20°C)	0.900 - 0.920
Water Content (KF)	≤ 0.5%

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