Description

n-Pentane-2,2-D2 is a deuterated isotopologue of n-pentane, specifically labeled at the 2-position, with the CAS registry number 87128-66-3. This compound is a highly volatile and strong acid/organic solvent-compatible reagent, serving as a critical tool for mechanistic studies and spectroscopic analysis. It is primarily required by researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors for applications such as NMR spectroscopy, reaction pathway elucidation, and as a specialty solvent.

Application

• NMR Spectroscopy Solvent & Internal Standard: Used as a deuterated solvent or chemical shift reference in nuclear magnetic resonance (NMR) analysis.
• Mechanistic Reaction Studies: Acts as a tracer or labeled starting material to investigate reaction mechanisms and kinetics in organic synthesis.
• Mass Spectrometry (MS) Standards: Serves as a labeled internal standard for quantitative analysis via GC-MS or LC-MS to improve accuracy.
• Pharmaceutical Intermediate Synthesis: Employed in the synthesis of deuterated active pharmaceutical ingredients (APIs) for metabolic stability and bioavailability studies.
• Polymer & Materials Science Research: Used in the development and analysis of novel polymers and organic electronic materials where isotopic labeling is required.
• Catalysis Research: Utilized in studies to understand catalyst behavior and hydrogen/deuterium exchange reactions.

Basic Information

Product Name	n-Pentane-2,2-D2
CAS No.	87128-66-3
Molecular Formula	C5H10D2
Molecular Weight	74.17 g/mol
Synonyms	Pentane-2,2-d2; [2,2-2H2]Pentane; 2,2-Dideuteriopentane; Deuterated n-Pentane; n-Pentane-d2 (2,2); Isotopic Labeled Pentane; C5H10D2; 1,1,1-Trideuterio-2-methylbutane
EINECS	Contact for details

Quality Control

Our n-Pentane-2,2-D2 is produced and handled under strict quality management protocols. Each batch undergoes rigorous analytical testing, including NMR and GC-MS, to confirm isotopic purity, chemical purity, and identity. Certificates of Analysis (COA) detailing batch-specific results are provided and available upon request to ensure full traceability and compliance with your research or production specifications.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile nature, store in a cool, well-ventilated area away from heat and ignition sources. Recommended storage temperature is 2-8°C to minimize evaporation and maintain stability. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	Colorless Liquid
Identification (IR/NMR)	Conforms to Structure
Assay (GC)	≥ 98.0%
Isotopic Purity (D-content)	≥ 98.0 atom % D
Chemical Purity (GC)	≥ 99.0%
Water Content (KF)	≤ 0.1%

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