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444863

Sigma-Aldrich

Acetone-d6

99.9 atom % D

Synonym(s):
Hexadeuteroacetone
Linear Formula:
CD3COCD3
CAS Number:
Molecular Weight:
64.12
Beilstein:
1702935
EC Number:
MDL number:
PubChem Substance ID:

vapor density

2 (vs air)

Quality Level

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)

form

liquid

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

technique(s)

GC/MS: suitable
NMR: suitable

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

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This Item
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Acetone-d6 99.9 atom % D

Sigma-Aldrich

444863

Acetone-d6

Acetone-d6 99.9 atom % D, contains 0.03 % (v/v) TMS

Sigma-Aldrich

434531

Acetone-d6

Acetone-d6 99.9 atom % D, contains 1 % (v/v) TMS

Sigma-Aldrich

454133

Acetone-d6

Acetone-d6 "100%", 99.96 atom % D

Sigma-Aldrich

175862

Acetone-d6

vapor pressure

14.39 psi ( 55 °C), 184 mmHg ( 20 °C), 3.67 psi ( 20 °C)

vapor pressure

14.39 psi ( 55 °C), 184 mmHg ( 20 °C), 3.67 psi ( 20 °C)

vapor pressure

14.39 psi ( 55 °C), 184 mmHg ( 20 °C), 3.67 psi ( 20 °C)

vapor pressure

14.39 psi ( 55 °C), 184 mmHg ( 20 °C), 3.67 psi ( 20 °C)

isotopic purity

99.9 atom % D

isotopic purity

99.9 atom % D

isotopic purity

99.9 atom % D

isotopic purity

99.96 atom % D

assay

≥99% (CP)

assay

≥99% (CP)

assay

≥99% (CP)

assay

≥99% (CP)

form

liquid

form

liquid

form

liquid

form

liquid

expl. lim.

13.2 %

expl. lim.

13.2 %

expl. lim.

13.2 %

expl. lim.

13.2 %

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.

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.

Legal Information

Sure/Seal is a trademark of Sigma-Aldrich Co. LLC

accessory

Product No.
Description
Pricing

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

Supplementary Hazards

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

-2.2 °F - closed cup

Flash Point(C)

-19 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Vibrational spectra and assignment of acetone, ααα acetone-d3 and acetone-d6.
Dellepiane G and Overend J.
Spectrochimica Acta Part A: Molecular Spectroscopy, 22(4), 593-614 (1966)
Neue Synthese von Aceton-d6.
Hunziker H, et al.
Helvetica Chimica Acta, 45(1), 59-62 (1962)
The Pyrolysis and Photolysis of Acetone-d6 in the Presence of Methane.
McNesby JR and Gordon AS.
Journal of the American Chemical Society, 76(16), 4196-4198 (1954)
Hyun-Ji Kim et al.
Journal of separation science, 34(6), 693-699 (2011-02-15)
We describe a simple and automatic method to determine nine aldehydes and acetone simultaneously in water. This method is based on derivatization with 2,2,2-trifluoroethylhydrazine (TFEH) and consecutive headspace-solid-phase microextraction and gas chromatography-mass spectrometry. Acetone-d(6) was used as the internal standard.
Anna K F Mårtensson et al.
Dalton transactions (Cambridge, England : 2003), 44(8), 3604-3613 (2014-11-20)
Linear and circular dichroism (LD and CD) spectroscopy as well as isothermal titration calorimetry (ITC) have been used to investigate the interaction of Ru(tpy)(py)dppz(2+) (tpy = 2,2':6',2''-terpyridyl; py = pyridine; dppz = dipyrido[3,2-a:2'3'-c]phenazine) with DNA, providing detailed information about the

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