Description

Heptane, 2-(Methylthio)- is a specialized organosulfur compound with the CAS number 54063-12-6, valued for its unique sulfur-containing functional group. This chemical serves as a versatile intermediate and building block in advanced organic synthesis, particularly in the development of complex molecules. It is primarily sought by the pharmaceutical, agrochemical, and specialty chemical industries for research, process development, and high-value manufacturing.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs) and complex drug candidates.
• Agrochemical Synthesis: Used in the production of advanced pesticides, herbicides, and fungicides where the thioether moiety is critical for bioactivity.
• Flavor & Fragrance Industry: Acts as a precursor for sulfur-containing aroma compounds, contributing to savory or roasted notes.
• Material Science Research: Employed in the development of novel polymers, ligands for catalysis, and functionalized materials.
• Organic Synthesis Reagent: Serves as a versatile reagent in academic and industrial R&D for introducing alkylthio groups into molecular frameworks.
• Lubricant & Fuel Additive Precursor: Investigated for the synthesis of specialty additives that modify properties like oxidation stability.

Basic Information

Product Name	Heptane, 2-(Methylthio)-
CAS No.	54063-12-6
Molecular Formula	C8H18S
Molecular Weight	146.29 g/mol
Synonyms	2-(Methylthio)heptane; 2-Methylthioheptane; 1-Methylthio-1-methylhexane; Methyl heptyl sulfide; Heptyl methyl sulfide; 2-Heptyl methyl sulfide; (Methylsulfanyl)heptane; 54063-12-6 (CAS)
EINECS	Contact for details

Quality Control

Our production of Heptane, 2-(Methylthio)- adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity. The material is characterized using advanced analytical techniques including GC, GC-MS, and NMR to confirm identity and quantify impurities. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area away from incompatible materials such as strong oxidizing agents. Recommended storage temperature is 2-25°C. Due to its chemical nature, it should be handled and stored under an inert atmosphere (e.g., nitrogen) to prevent oxidation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (GC)	Total impurities ≤ 3.0%
Density (at 20°C)	0.84 - 0.86 g/mL
Refractive Index (n20D)	1.450 - 1.455

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