Acetone-D6 99.9 Atom% D 100mL

Acetone-D6 99.9 Atom% D 100mL

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Acetone-D6 99.9 Atom% D 100mL

Synonym: Hexadeuteroacetone

  • CAS Number 666-52-4
  • Linear Formula CD3COCD3
  • Molecular Weight 64.12
  • Beilstein/REAXYS Number 1702935
  • EC Number 211-563-9
  • MDL number MFCD00044635
  • PubChem Substance ID 24868149
Quality Level 100
vapor density 2 (vs air)
vapor pressure 14.39 psi ( 55 °C)
  184 mmHg ( 20 °C)
  3.67 psi ( 20 °C)
isotopic purity 99.9 atom % D
assay ≥99% (CP)
expl. lim. 13.2 %
packaging Sure/Seal™ of 100 mL
  ampule of 0.5 mL, 0.6 mL, 10 mL
  glass bottle of 10, 25, 50 mL
impurities ≤0.0500% waterwater
refractive index n20/D 1.355 (lit.)
bp 55.5 °C (lit.)
mp −93.8 °C (lit.)
density 0.872 g/mL at 25 °C (lit.)
mass shift M+6
SMILES string [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]
InChI 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3

General description

Acetone-d6 is a deuterated NMR solvent useful in NMR-based research and analyses. Its Infrared and Raman spectra have been analyzed. Pyrolysis and photolysis of acetone-d6 and methane mixtures have been investigated as a function of temperature. It has been reported to be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst.


Acetone-d6 may be used as an internal standard to detect aldehydes and acetone in water by headspace-solid-phase microextraction and gas chromatography-mass spectrometry.


Signal word Danger
Hazard statements H225-H319-H336
Precautionary statements P210-P261-P305 + P351 + P338
Supplemental Hazard Statements Repeated exposure may cause skin dryness or cracking.
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
RIDADR UN1090 - class 3 - PG 2 - Acetone
WGK Germany 3
Flash Point(F) -2.2 °F
Flash Point(C) -19 °C



Note: These chemicals are for research & laboratory use only. Your order will not be processed if you do not work for, and ship to, a registered laboratory or research facility. Not for topical applications. An official Declaration of Use form may be required.

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WARNING: This product can expose you to chemicals which are known to the State of California to cause cancer and reproductive harm. Prop 65 Warning

Please note: This product is not returnable.

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