Deuterated acetone

Deuterated acetone  | Skeletal formula of deuterated acetone | Spacefill model of deuterated acetone

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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

EC Number |

* 211-563-9

PubChem CID

* 522220

UNII |

* B0N19B53H8 Y

UN number | 1090

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 pictograms |
GHS Signal word | Danger

GHS hazard statements

| H225, H319, H336

GHS precautionary statements

| P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+361+353, P304+340, P305+351+338, P312, P337+313, P370+378, P403+233, P403+235, P405, P501
NFPA 704 (fire diamond)  |

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

Tracking categories (test):

* SizeSet

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.[1]

## Properties

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

## Manufacture

Deuterated acetone is prepared by the reaction of acetone with heavy water, D2O, in the presence of a base. 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

1. ↑ 1.0 1.1 Paulsen, P. J.; Cooke, W. D. (1963). "Preparation of Deuterated Solvents for Nuclear Magnetic Resonance Spectrometry". Analytical Chemistry 35 (10): 1560. doi:10.1021/ac60203a072.

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* t
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Deuterated NMR Solvents

Deuterated|

* Deuterated acetone \- (CD3)2C=O
* Deuterated benzene \- C6D6
* Deuterated chloroform \- CDCl3
* Deuterated dichloromethane \- CD2Cl2
* Deuterated DMF \- (CD3)2NCOD
* Deuterated DMSO \- (CD3)2S=O
* Deuterated ethanol \- C2D5OD
* Deuterated methanol \- CD3OD
* Deuterated THF \- (C4D8)O
* Deuterated water \- D2O

Reference

1H and 13C chemical shifts

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Original source: https://en.wikipedia.org/wiki/Deuterated acetone. Read more

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*[CID]: Compound ID
*[H225]: Highly flammable liquid and vapour
*[H319]: Causes serious eye irritation
*[H336]: May cause drowsiness or dizziness
*[P210]: Keep away from heat/sparks/open flames/hot surfaces – No smoking
*[P233]: Keep container tightly closed
*[P240]: Ground/bond container and receiving equipment
*[P241]: Use explosion-proof electrical/ventilating/light/…/equipment
*[P242]: Use only non-sparking tools
*[P243]: Take precautionary measures against static discharge
*[P261]: Avoid breathing dust/fume/gas/mist/vapours/spray
*[P264]: Wash … thoroughly after handling
*[P271]: Use only outdoors or in a well-ventilated area
*[P280]: Wear protective gloves/protective clothing/eye protection/face protection
*[P303+361+353]: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
*[P304+340]: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
*[P305+351+338]: IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing
*[P312]: Call a POISON CENTER or doctor/physician if you feel unwell
*[P337+313]: Get medical advice/attention
*[P370+378]: In case of fire: Use … for extinction
*[P403+233]: Store in a well ventilated place. Keep container tightly closed
*[P403+235]: Store in a well ventilated place. Keep cool
*[P405]: Store locked up
*[P501]: Dispose of contents/container to …
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