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Tert-butanol-d10丨CAS 53001-22-2

Tert-butanol-d10丨CAS 53001-22-2
Product Introduction:
CAS No.: 53001-22-2
Product Name: tert-butanol-d10
Molecular Formula: C4H10O
Molecular Weight: 84.18
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Technical Parameters
Description

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High Purity tert-butanol-d10丨CAS 53001-22-2

 

tert-Butanol-d10, also known as fully deuterated tert-butanol, is an isotopically labeled form of tert-butanol in which the ten hydrogen atoms of the three methyl groups and hydroxyl group are replaced by deuterium. This deuterated compound is relevant to isotope-labeling research, spectroscopy, solvent studies, and investigations of reaction mechanisms. Its isotopic composition makes it useful for examining isotope-dependent molecular behavior and preparing specialized deuterium-labeled materials.

 

Chemical Identifiers

 

InChI InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,5D
InChI Key DKGAVHZHDRPRBM-SGLLWXCUSA-N
Smiles [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])O[2H]
EC No. 258-288-0
MDL No.  
PubChem CID 2723971

 

 

 

Applications

 

NMR Spectroscopy and Structural Analysis

Deuterated solvents and solvent-related compounds are useful in nuclear magnetic resonance (NMR) research. tert-Butanol-d10 may be used in selected spectroscopic studies to investigate molecular structure, intermolecular interactions, and solvent-dependent behavior. Its suitability for NMR use depends on the experimental design and the required isotopic and chemical purity.

Isotope Effects and Reaction Mechanisms

Replacing hydrogen with deuterium can influence reaction rates and molecular vibrations. tert-Butanol-d10 provides a highly deuterated molecular system for investigating kinetic isotope effects, hydrogen–deuterium exchange, and reaction pathways under appropriate experimental conditions.

Physical Chemistry and Solvent Research

Isotopic substitution can affect physicochemical properties such as vibrational behavior, hydrogen bonding, and molecular dynamics. tert-Butanol-d10 can support research into solvent interactions, molecular organization, and isotope-dependent properties in physical chemistry and materials-related studies.

Chemical Synthesis and Specialized Research

Highly deuterated alcohols can be valuable starting materials in selected synthetic investigations. tert-Butanol-d10 may support research into deuterium incorporation and the preparation of isotopically labeled derivatives where the tert-butyl framework or its associated isotopic composition is required.

 

 

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