Description

n-Butyl-4,4,4-D3-Benzene is a deuterium-labeled isotopologue of n-butylbenzene, where three hydrogen atoms on the terminal methyl group are replaced by deuterium. This isotopic labeling makes it a critical internal standard and tracer compound for advanced analytical techniques, ensuring precise quantification and metabolic pathway elucidation. It is primarily required by research institutions and industrial laboratories in the fields of pharmaceutical development, agrochemical research, and environmental analysis.

Application

• Internal Standard for Mass Spectrometry (MS): Used in GC-MS and LC-MS for the accurate quantification of n-butylbenzene and related compounds in complex matrices.
• Metabolic and Pharmacokinetic Studies: Serves as a stable, non-radioactive tracer to study the absorption, distribution, metabolism, and excretion (ADME) of chemical entities.
• Environmental Fate Analysis: Employed in tracing the degradation pathways and environmental persistence of butylbenzene derivatives.
• NMR Spectroscopy Solvent & Reagent: Acts as a deuterated solvent or reagent in nuclear magnetic resonance (NMR) spectroscopy to avoid signal interference.
• Organic Synthesis Intermediate: Used in the synthesis of more complex deuterium-labeled compounds for research purposes.
• Quality Control Reference Material: Provides a certified reference standard for method validation and quality assurance in analytical laboratories.

Basic Information

Product Name	n-Butyl-4,4,4-D3-Benzene
CAS No.	109232-94-2
Molecular Formula	C10H11D3
Molecular Weight	137.23 g/mol
Synonyms	Butyl-d3-benzene; 1-Phenylbutane-1,1,1-d3; n-Butylbenzene-d3; Butyl-d3-benzene; Benzene, butyl-4,4,4-d3-; (1,1,1-D3)Butylbenzene; 4,4,4-Trideuterio-1-phenylbutane; 1-Butyl-4,4,4-d3-benzene
EINECS	Contact for details

Quality Control

Our n-Butyl-4,4,4-D3-Benzene is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR, GC-MS, and HPLC, to confirm isotopic purity, chemical purity, and identity. Certificates of Analysis (COA) detailing batch-specific results for isotopic enrichment (typically >98 atom % D), chemical purity (typically >97%), and residual solvent content are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place at room temperature (15-25°C). Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use to prevent evaporation and potential concentration changes.

Specification

Item	Specification
Appearance	Clear Colorless Liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 97.0%
Isotopic Purity (NMR/MS)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%

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