Description

(S)-(+)-2-Octyl Isothiocyanate is a high-purity, chiral organic compound belonging to the isothiocyanate class, characterized by its specific stereochemistry at the second carbon of the octyl chain. This compound matters as a valuable chiral building block and intermediate in advanced organic synthesis, enabling the creation of enantiomerically pure molecules with targeted biological activity. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for applications in asymmetric synthesis, medicinal chemistry, and the development of novel bioactive agents.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the synthesis of enantiomerically pure drug candidates and active pharmaceutical ingredients (APIs).
• Agrochemical Research: Used in the development of novel, stereospecific pesticides, herbicides, and plant growth regulators.
• Asymmetric Synthesis: Serves as a chiral electrophile or building block in catalytic asymmetric reactions to introduce the isothiocyanate functional group with high enantioselectivity.
• Medicinal Chemistry & SAR Studies: Employed to explore structure-activity relationships by incorporating the chiral octyl-isothiocyanate moiety into potential therapeutic molecules.
• Ligand and Catalyst Development: Useful in the preparation of chiral ligands or organocatalysts for use in stereoselective transformations.
• Specialty Chemical Production: An intermediate for manufacturing high-value chiral compounds used in flavors, fragrances, and advanced materials.

Basic Information

Product Name	(S)-(+)-2-Octyl Isothiocyanate
CAS No.	737761-98-7
Molecular Formula	C₉H₁₇NS
Molecular Weight	171.30 g/mol
Synonyms	(S)-2-Octyl Isothiocyanate; (S)-(+)-2-Octyl Isothiocyanate; (+)-(S)-2-Octyl Isothiocyanate; (S)-Octan-2-yl Isothiocyanate; (2S)-Octyl Isothiocyanate; (S)-2-Octyl Mustard Oil; (S)-sec-Octyl Isothiocyanate; NSC 836080
EINECS	Contact for details

Quality Control

Our (S)-(+)-2-Octyl Isothiocyanate is produced under strict quality management protocols to ensure batch-to-batch consistency and high enantiomeric purity. Each lot undergoes comprehensive analytical testing, including chiral HPLC, NMR, and GC-MS, to verify identity, purity, and optical rotation. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to support your quality assurance and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from strong bases, strong oxidizing agents, and sources of ignition. For long-term storage, consider storing under an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 97.0%
Enantiomeric Excess (Chiral HPLC)	≥ 98.0%
Specific Rotation [α]₂₀D	Contact for details
Water Content (KF)	≤ 0.5%

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