Deuterated acetone

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Deuterated acetone

Names
Preferred IUPAC name (1,1,1,3,3,3-2H6)Propan-2-one
Identifiers
CAS Number	666-52-4 Y
3D model (JSmol)	Interactive image
Beilstein Reference	1702935
ChEBI	CHEBI:78217 Y
ChemSpider	455535 Y
ECHA InfoCard	100.010.514
EC Number	211-563-9
PubChem CID	522220
UNII	B0N19B53H8 Y
UN number	1090
CompTox Dashboard (EPA)	DTXSID20216767
InChI InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3 Y Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Y
SMILES [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
Properties
Chemical formula	C32H6O
Molar mass	64.1161 g mol−1
Density	0.872 g cm−3
Melting point	−94 °C (−137 °F; 179 K)
Boiling point	56 °C (133 °F; 329 K)
Vapor pressure	24.5-25.3 kPa (at 20 °C)
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H225, H319, H336
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, P501
NFPA 704 (fire diamond)	1 3 0
Flash point	−19 °C (−2 °F; 254 K)
Related compounds
Related compounds	Acetone
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Deuterated acetone ((CD₃)₂CO), also known as Acetone-D₆, is a form (called an isotopologue) of acetone (CH₃)₂CO in which the hydrogen atom ("H") is replaced with deuterium (heavy hydrogen) isotope ("D"). Deuterated acetone is a common solvent used in NMR spectroscopy.

Properties[]

As with all deuterated compounds, the properties of deuterated acetone are virtually identical to those of regular acetone.

Manufacture[]

Deuterated acetone is prepared from heavy water, D₂O, by what amounts to an aldol reaction. In this case, the base used is a deuterated version of lithium hydroxide:^[1]

In order to fully deuterate the acetone, the process is repeated several times, distilling off the acetone from the heavy water, and re-running the reaction in a fresh batch of heavy water.

References[]

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