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530891

Sigma-Aldrich

Acetone-d6

99.9 atom % D

Synonym(s):

Hexadeuteroacetone

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About This Item

Linear Formula:
CD3COCD3
CAS Number:
666-52-4
Molecular Weight:
64.12
Beilstein:
1702935
EC Number:
211-563-9
MDL number:
MFCD00044635
UNSPSC Code:
12190000
PubChem Substance ID:
24877784

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

≥99.00%

form

liquid

expl. lim.

13.2 %

packaging

glass bottle of 1 L

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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Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H336

Hazard Classifications

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

Target Organs

Central nervous system

Supplementary Hazards

EUH066

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
Denise Lego et al.
NMR in biomedicine, 27(7), 810-816 (2014-05-09)
Parahydrogen-induced polarization (PHIP) is a promising new tool for medical applications of MR, including MRI. The PHIP technique can be used to transfer high non-Boltzmann polarization, derived from parahydrogen, to isotopes with a low natural abundance or low gyromagnetic ratio
Fujun Li et al.
Nature communications, 6, 7843-7843 (2015-07-25)
Lithium-oxygen cells have attracted extensive interests due to their high theoretical energy densities. The main challenges are the low round-trip efficiency and cycling instability over long time. However, even in the state-of-the-art lithium-oxygen cells the charge potentials are as high
Tim N Beck et al.
Bioorganic & medicinal chemistry, 23(3), 632-647 (2015-01-01)
The prevalence of drug resistance in both clinical and community settings as a consequence of alterations of biosynthetic pathways, enzymes or cell wall architecture is a persistent threat to human health. We have designed, synthesized, and tested a novel class
Ofentse Mazimba et al.
Bioorganic & medicinal chemistry, 22(23), 6564-6569 (2014-12-03)
A series of 3-nitrochalcones have been synthesized enroute towards fused ring pyrazolones and isoxazolones. Base catalyzed condensation of the chalcones with ethylacetoacetate yielded cyclohexenones in good yields (74-76%). The treatment of cyclohexenones with hydrazine hydrate or hydroxylamine chloride in the
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