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444715 Sigma-Aldrich

Acetone-d6

"100%", 99.96 atom % D

Synonym: Hexadeuteroacetone

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Properties

Related Categories A, Acetone, Acetone-d6, Alphabetical Listings, NMR Solvents,
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   99.96 atom % D
assay   ≥99.00%
expl. lim.   13.2 %
packaging   pk of 10 × 0.75 mL
impurities   ≤0.0500% water
water
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
InChI key   CSCPPACGZOOCGX-WFGJKAKNSA-N

Description

General description

Acetone-d6 is a deuterated NMR solvent. It is a 100% NMR solvent, that implies it is isotopically enriched and is useful in high resolution NMR. The Infrared and Raman spectra of acetone-d6 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.

Application

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.

Packaging

1 pkg in ampule

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN1090 - class 3 - PG 2 - Acetone
WGK Germany 
3
Flash Point(F) 
-2.2 °F
Flash Point(C) 
-19 °C

Dispensette™ S
Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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