Acetone-D6丨CAS 666-52-4

Acetone-D6丨CAS 666-52-4
Product Introduction:
CAS No.: 666-52-4
Product Name: Acetone-D6
Molecular Formula: C3H6O
Molecular Weight: 64.12
Synonym(s): hexadeuterioacetone
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Technical Parameters
Description

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Acetone-D6, also known as Hexadeuteroacetone or Deuterated Acetone, is the fully deuterated form of acetone in which all six hydrogen atoms are replaced by deuterium. It is widely used as a deuterated solvent in nuclear magnetic resonance (NMR) spectroscopy and scientific research. Its isotopic composition makes it valuable for analytical measurements, molecular structure determination, and isotope-labeling studies.

 

Chemical Identifiers

 

InChI InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
InChI Key CSCPPACGZOOCGX-WFGJKAKNSA-N
Smiles [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
EC No. 211-563-9
MDL No. MFCD00044635
PubChem CID 522220

 

 

 

Applications

 

Analytical Chemistry

Acetone-D6 is commonly used as a solvent for preparing samples for NMR analysis. Its deuterium content helps reduce interference from ordinary hydrogen signals, supporting clearer spectral interpretation.

Pharmaceutical Industry

It is used in pharmaceutical research for compound characterization, structural confirmation, impurity analysis, and the investigation of molecular interactions.

Chemical Synthesis

Acetone-D6 serves as a deuterium-labeled reagent or solvent in isotope-labeling experiments, mechanistic studies, and research into hydrogen–deuterium exchange and reaction pathways.

Materials Science

It supports the characterization of specialty chemicals, polymers, and functional materials through NMR spectroscopy and other analytical research techniques.

 

 

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