acetone d(6) (CHEBI:78217)

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ChEBI Name	acetone d₆

ChEBI ID	CHEBI:78217

ChEBI ASCII Name	acetone d6

Definition	A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB7693142, eMolecules:482993

Download	Molfile XML SDF

Wikipedia	License
Deuterated acetone ((CD3)2CO), also known as acetone-d6, is a form (isotopologue) of acetone (CH3)2CO in which the hydrogen atom (H) is replaced with deuterium (heavy hydrogen) isotope (2H or D). Deuterated acetone is a common solvent used in NMR spectroscopy.
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Formula

C3D6O

Net Charge

Average Mass

64.117

Monoisotopic Mass

64.07953

InChI

InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3

InChIKey

CSCPPACGZOOCGX-WFGJKAKNSA-N

SMILES

[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]

Roles Classification
Chemical Role(s):	polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. NMR solvent A solvent used in nuclear magnetic resonance (NMR) spectroscopy.

Application(s):	polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. NMR solvent A solvent used in nuclear magnetic resonance (NMR) spectroscopy.

ChEBI Ontology
Outgoing	acetone d₆ (CHEBI:78217) has role NMR solvent (CHEBI:197449) acetone d₆ (CHEBI:78217) has role polar aprotic solvent (CHEBI:48358) acetone d₆ (CHEBI:78217) is a deuterated compound (CHEBI:76107) acetone d₆ (CHEBI:78217) is a propanones (CHEBI:26292)

IUPAC Name

(²H₆)propan-2-one

Last Modified

18 October 2023