Description

1,3-Butadiene-D6 is a deuterated isotopologue of 1,3-butadiene, where all six hydrogen atoms are replaced by deuterium (CAS NO 1441-56-1). This high-purity, isotopically labeled compound is an essential tool for advanced analytical and research applications, providing a non-radioactive tracer with distinct spectroscopic properties. It is primarily used by researchers and quality control laboratories in the pharmaceutical, polymer science, and environmental analysis sectors for mechanistic studies, metabolic pathway tracing, and as an internal standard in mass spectrometry.

Application

• Internal Standard for Mass Spectrometry (MS) and Gas Chromatography (GC): Used for the accurate quantification of 1,3-butadiene and related compounds in complex matrices.
• Metabolic and Pharmacokinetic Studies: Serves as a stable isotopic tracer to investigate the metabolic fate and distribution of butadiene in biological systems.
• Polymerization Mechanism Research: Employed in NMR spectroscopy to study reaction mechanisms, kinetics, and polymer microstructure in synthetic rubber production.
• Environmental and Atmospheric Chemistry: Acts as a reference standard for monitoring and analyzing trace levels of butadiene in environmental samples and air quality studies.
• Spectroscopic Calibration: Provides a precise standard for calibrating IR and NMR spectrometers due to its distinct spectral signature.
• Deuterium Labeling in Organic Synthesis: Used as a building block for synthesizing deuterated organic molecules for research purposes.

Basic Information

Product Name	1,3-Butadiene-D6
CAS No.	1441-56-1
Molecular Formula	C4D6
Molecular Weight	60.12 g/mol
Synonyms	Buta-1,3-diene-d6; 1,3-Butadiene-d6; Deuterated 1,3-Butadiene; Perdeuterio-1,3-butadiene; 1,3-Butadiene (hexadeuterated); Butadiene-d6; 1,3-Butadiene (D6, 98%)
EINECS	Contact for details

Quality Control

Our 1,3-Butadiene-D6 is produced and handled under stringent conditions to ensure the highest isotopic and chemical purity. Each batch undergoes rigorous analytical testing, including NMR, GC-MS, and IR spectroscopy, to verify identity, isotopic enrichment (typically ≥98 atom % D), and chemical purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to ensure traceability and compliance with your research requirements.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile and gaseous nature under standard conditions, this material is typically supplied in sealed ampoules or lecture bottles. Store in a cool, well-ventilated area away from heat, sparks, and open flames. The container should be kept upright and secured. For long-term stability, store at temperatures as recommended on the specific product label or safety data sheet.

Specification

Item	Specification
Appearance	Colorless gas
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to reference spectrum
Purity (GC)	≥ 99.0%
Isotopic Purity (Atom % D)	≥ 98%
Isotopic Enrichment (by NMR)	≥ 98% D

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