Description

1-Butyne-3,3,4,4,4-D5 (Gas) is a deuterium-labeled isotopologue of 1-butyne, a terminal alkyne gas. This compound is a crucial tool in advanced research, enabling precise mechanistic studies and quantitative analysis through techniques like mass spectrometry and NMR spectroscopy. It is primarily utilized by scientists in pharmaceutical development, agrochemical research, and materials science for applications such as reaction pathway elucidation, metabolic studies, and as a stable-isotope internal standard.

Application

• Internal Standard for Mass Spectrometry: Used as a stable, non-interfering reference compound for the quantitative analysis of alkynes and related compounds in complex matrices.
• Mechanistic Reaction Studies: Employed in deuterium labeling experiments to trace reaction pathways, identify intermediates, and study kinetic isotope effects in catalytic and synthetic processes.
• Metabolic Pathway Tracing: Aids in pharmaceutical and agrochemical research by tracking the fate of molecules in biological systems to understand metabolism and degradation.
• NMR Spectroscopy Solvent & Reagent: Serves as a deuterated reagent or shift reference in nuclear magnetic resonance spectroscopy to simplify spectral interpretation.
• Polymer & Materials Science Research: Used in the development and analysis of novel polymeric materials where deuterated monomers provide specific structural or analytical advantages.
• Calibration Gas for Analytical Instruments: Provides a known, stable standard for calibrating gas chromatographs and other analytical equipment used in research and quality control laboratories.

Basic Information

Product Name	1-Butyne-3,3,4,4,4-D5 (Gas)
CAS No.	60173-50-4
Molecular Formula	C4D5H
Molecular Weight	59.12 g/mol
Synonyms	But-1-yne-3,3,4,4,4-d5; 1-Butyne-d5; 3,3,4,4,4-Pentadeuterio-1-butyne; Ethyl-d5 acetylene; Deuterated 1-Butyne; Terminal deuterated butyne; C-13 NMR reference compound; Stable Isotope Labeled 1-Butyne
EINECS	Contact for details

Quality Control

Every batch of 1-Butyne-3,3,4,4,4-D5 (Gas) is produced and analyzed under strict quality management protocols to ensure the highest isotopic and chemical purity for research applications. Our products undergo rigorous quality testing to ensure compliance with industry standards. Certificates of Analysis (COA) detailing isotopic enrichment (D-atom %), chemical purity (by GC), and identity confirmation (by GC-MS/IR) are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated area away from heat, sparks, and open flames. Due to its highly volatile and gaseous nature, the product must be kept in its original certified cylinder or appropriate high-pressure gas vessel at room temperature (15-25°C). Keep container tightly sealed when not in use.

Specification

Item	Specification
Appearance (Gas)	Colorless
Identification (IR)	Conforms to reference spectrum
Purity (GC)	≥ 98.0%
Isotopic Enrichment (D-atom %)	≥ 98.0%
Major Impurity (GC)	≤ 1.0%

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