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Merck

151793

Sigma-Aldrich

Acetone-d6

99.9 atom % D

Sinónimos:

Hexadeuteroacetone

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About This Item

Fórmula lineal:
CD3COCD3
Número de CAS:
Peso molecular:
64.12
Beilstein/REAXYS Number:
1702935
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21

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 g
ampule of 0.75 mL, 1 mL, 10 g
glass bottle of 25 g, 50 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

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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General description

Acetone-d6 (CD3COCD3, Hexadeuteroacetone) is the hexadeuterated form of acetone, in which all hydrogen atoms in acetone molecule have been replaced by deuterium (D) atoms. It is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. 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. It undergoes H-2H exchange reaction with acetone d0 to afford acetone d1 and d5.

Application

Acetone-d6 may be used as a deuterated solvent in the 1H NMR spectral studies of iodine containing radiopaque poly(methacrylate)copolymers. It may also be used as a source of deuterium atoms in the synthesis of labelled sterols.

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Legal Information

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

For use with

Referencia del producto
Descripción
Precios

pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

supp_hazards

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

-2.2 °F - closed cup

flash_point_c

-19 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves


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Visite la Librería de documentos

Stability of radiopaque iodine-containing biomaterials
Aldenhoff.J.BY, et al.
Biomaterials, 23(3), 881-886 (2002)
The synthesis of labeled sterols
Kovganko.V.N and Ananich.K.S
Chemistry of Natural Compounds, 35(4), 369-393 (1999)
Vibrational spectra and assignment of acetone, ααα acetone-d3 and acetone-d6.
Dellepiane G and Overend J.
Spectrochimica Acta, 22(4), 593-614 (1966)
Aldol condensation of acetone/acetone d6 over magnesium oxide and lanthanum oxide.
Zhang G, et al.
Applied Catalysis, 40, 183-190 (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)

Artículos

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

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