Skip to Content
Merck
CN

175862

Acetone-d6

"100%", 99.95 atom % D

Synonym(s):

Hexadeuteroacetone

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
CD3COCD3
CAS Number:
666-52-4
Molecular Weight:
64.12
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24850533
EC Number:
211-563-9
Beilstein/REAXYS Number:
1702935
MDL number:
MFCD00044635

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

Acetone-d6, "100%", 99.95 atom % D

InChI key

CSCPPACGZOOCGX-WFGJKAKNSA-N

InChI

1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3

SMILES string

[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]

vapor density

2 (vs air)

vapor pressure

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

isotopic purity

99.95 atom % D

assay

≥99% (CP)

form

liquid

expl. lim.

13.2 %

packaging

ampule of 0.5, 0.75 mL, 5 g
glass bottle of 25 g

technique(s)

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

Quality Level

100

Looking for similar products? Visit Product Comparison Guide

Related Categories

Application

Acetone-d6 has been used as a solvent for the NMR (Nuclear Magnetic Resonance) spectral investigation of (S)-2-(6-((3-((15-carboxypentadecyl)disulfanyl)propoxy)carbonyloxy)benzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid.

General description

Acetone-d6 (CD3COCD3, Hexadeuteroacetone) is the hexadeuterated form of acetone. It is 100% NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Absorption spectra of CD3COCD3 samples cooled in molecular jet (jet-cooled) have been evaluated in the range of 51000-54000cm-1. Collision of its molecular ions with a perdeuterated surface (C20D41 SAu) was investigated by ion-surface collision spectroscopy. The Infrared and Raman spectra of acetone-d6 have been analyzed.4 It undergoes H-2H exchange reaction with acetone d0 to afford acetone d1 and d5.
Acetone-d6 can be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst.

Other Notes

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

-2.2 °F - closed cup

flash_point_c

-19 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

危险化学品
This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCX7121
MKCP8613
MKCJ4207
MKCF6367
MKBZ2461V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

The (n0-3s) Rydberg state of acetone: absorption spectroscopy of jet-cooled acetone and acetone-d6.
Gaines GA, et al.
The Journal of Physical Chemistry, 92(10), 2762-2766 (1988)
Reactive ion-surface collisions: Application of ionized acetone-d6, DMSO-d6 and pyridine-d5 as probes for the characterization of self-assembled monolayer films on gold.
Kane TE, et al.
Org. Mass Spectrom., 28(12), 1665-1673 (1993)
Aldol condensation of acetone/acetone d6 over magnesium oxide and lanthanum oxide.
Zhang G, et al.
Applied Catalysis, 40, 183-190 (1988)
Neue Synthese von Aceton-d6.
Hunziker H, et al.
Helvetica Chimica Acta, 45(1), 59-62 (1962)
Elena Dubikovskaya et al.
Methods in enzymology, 538, 107-134 (2014-02-18)
The ability of white and brown adipose tissue to efficiently take up long-chain fatty acids is key to their physiological functions in energy storage and thermogenesis, respectively. Several approaches have been taken to determine uptake rates by cultured cells and
View All Related Papers

Related Content

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

Contact Technical Service