Description

n-Butyl-1,1-D2 Alcohol is a selectively deuterated derivative of n-butanol, where two hydrogen atoms at the 1-position are replaced with deuterium (D). This isotopic labeling makes it a crucial tool in mechanistic studies and analytical chemistry, providing a non-radioactive tracer with distinct spectroscopic properties. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors who require precise molecular tracking, kinetic isotope effect (KIE) studies, or the synthesis of deuterated compounds for improved metabolic stability.

Application

• Deuterated Standard for Analytical Chemistry: Used as an internal standard in quantitative NMR (qNMR), mass spectrometry (MS), and chromatography to enhance analytical accuracy and method validation.
• Pharmaceutical Research & Development: A key synthon for incorporating deuterium into drug candidates to study metabolic pathways, improve pharmacokinetic profiles, and develop novel active pharmaceutical ingredients (APIs).
• Mechanistic & Kinetic Studies: Essential for investigating reaction mechanisms and measuring kinetic isotope effects in organic and organometallic chemistry.
• Agrochemical Development: Used in the synthesis of deuterated pesticides or herbicides to study environmental fate, degradation, and biological activity.
• Deuterated Polymer & Materials Science: Serves as a monomer or building block for creating deuterated polymers used in neutron scattering experiments to study polymer structure and dynamics.
• Spectroscopic Probe: Employed in FT-IR and Raman spectroscopy as a model compound due to the distinct vibrational frequencies of C-D bonds compared to C-H bonds.

Basic Information

Product Name	n-Butyl-1,1-D2 Alcohol
CAS No.	32586-14-4
Molecular Formula	C4H8D2O
Molecular Weight	76.14 g/mol
Synonyms	1,1-Dideuteriobutanol; Butan-1,1-d2-ol; 1,1-Dideuterio-1-butanol; Deuterated n-Butanol; Butyl Alcohol-d2; n-Butanol-1,1-d2; 1-Butanol-1,1-d2; [1,1-2H2]Butan-1-ol
EINECS	Contact for details

Quality Control

Our n-Butyl-1,1-D2 Alcohol is produced under strict quality management protocols. Each batch undergoes comprehensive analysis to ensure high chemical and isotopic purity, meeting the stringent requirements of research and development applications. A detailed Certificate of Analysis (COA) is provided, reporting key parameters such as assay (by GC or NMR), isotopic enrichment (D atom %), and impurity profile. We support compliance with relevant regulatory frameworks for advanced chemical intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from strong oxidizing agents, acids, and heat sources. The container should be kept upright to prevent leakage.

Specification

Item	Specification
Appearance	Colorless clear liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 98.0%
Isotopic Enrichment (D atom %)	≥ 98.0% at 1,1-position
Water Content (KF)	≤ 0.5%

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