EMAIL THIS PAGE TO A FRIEND
454133 Sigma-Aldrich

Acetone-d6

99.9 atom % D, contains 1 % (v/v) TMS

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 24868888

  •  NACRES NA.21

Purchase

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   99.9 atom % D
assay   ≥99% (CP)
contains   1 % (v/v) TMS
expl. lim.   13.2 %
packaging   ampule of 10 g
  glass bottle of 25 g, 50 g
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 containing 1% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. 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

10 g in ampule

25, 50 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
Supplemental Hazard Statements 
Repeated exposure may cause skin dryness or cracking.
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

Related Products

accessory

Product #

Description

Add to Cart

Z693847 Scienceware® Break-Safe ampule opener

related product

Product #

Description

Add to Cart

94791 SnapIT Ampule Opener, Regular, for 1-2ml, 5-10ml, 10-15ml ampoules

Technical Service:

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Bulk Ordering & Pricing:

Need larger quantities for your development, manufacturing or research applications?