Description

3-Methylheptane-D18 is a deuterated isotopologue of 3-methylheptane, where all hydrogen atoms are replaced by deuterium (²H). This compound is a high-purity, isotopically labeled standard of critical importance for analytical and research applications. It is primarily utilized as an internal standard or tracer in mass spectrometry, NMR spectroscopy, and metabolic studies, where its distinct mass signature eliminates interference from endogenous compounds. Key industries that rely on this specialty chemical include pharmaceutical research, environmental analysis, and advanced materials science.

Application

• Internal Standard for Mass Spectrometry (MS): Provides a non-interfering reference peak for the accurate quantification of 3-methylheptane and related hydrocarbons in complex matrices like fuels, environmental samples, or biological fluids.
• NMR Spectroscopy Solvent & Tracer: Serves as a deuterated solvent or a specific tracer in nuclear magnetic resonance studies to investigate molecular structure, dynamics, and reaction mechanisms.
• Metabolic Pathway Research: Used as a stable isotope-labeled tracer to study the biodegradation pathways of hydrocarbons or lipid metabolism in biological systems.
• Chemical Reaction Mechanism Studies: Acts as a deuterium-labeled reagent or probe in kinetic isotope effect (KIE) experiments to elucidate detailed reaction mechanisms in organic synthesis and catalysis.
• Environmental Fate and Transport Analysis: Employed in controlled studies to track the environmental dispersion, absorption, and breakdown of petroleum-derived compounds.
• Quality Control in Petrochemical Analysis: Ensures accuracy and precision in the gas chromatography (GC) and GC-MS analysis of hydrocarbon mixtures and refined products.

Basic Information

Product Name	3-Methylheptane-D18
CAS No.	62884-45-1
Molecular Formula	C8D18
Molecular Weight	130.31 g/mol (theoretical)
Synonyms	Octadeutero-3-methylheptane; [²H18]-3-Methylheptane; 3-Methylheptane-d18; Perdeuterated 3-Methylheptane; 3-Methylheptane (D18); Deuterated Isooctane component; Isotopic Standard C8D18; (RS)-3-Methylheptane-D18
EINECS	Contact for details

Quality Control

Every batch of 3-Methylheptane-D18 is manufactured and analyzed under strict quality systems to ensure the highest isotopic and chemical purity for research applications. Our products undergo rigorous quality testing, including comprehensive analysis by GC, NMR, and MS, to ensure compliance with customer specifications and industry standards. Certificates of Analysis (COA) detailing isotopic enrichment (typically >98 atom % D), chemical purity, and specific analytical results are provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place away from heat sources and open flame. Due to its highly volatile nature, ensure containers are kept tightly sealed under an inert atmosphere (e.g., nitrogen) when not in use to prevent evaporation and potential atmospheric contamination. Recommended long-term storage at 2-8°C.

Specification

Item	Specification
Appearance	Colorless clear liquid
Identification (NMR)	Conforms to structure
Isotopic Purity (Atom % D)	≥ 98%
Chemical Purity (GC)	≥ 99%
Water Content (KF)	≤ 0.1%

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