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Merck
CN

185973

Acetone-d6

99.5 atom % D

Synonym(s):

Hexadeuteroacetone

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About This Item

Linear Formula:
CD3COCD3
CAS Number:
666-52-4
Molecular Weight:
64.12
EC Number:
211-563-9
UNSPSC Code:
12142201
PubChem Substance ID:
329751721
Beilstein/REAXYS Number:
1702935
MDL number:
MFCD00044635

Key Documents

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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), 15.07 psi ( 55 °C), 184 mmHg ( 20 °C), 3.67 psi ( 20 °C), 4.08 psi ( 20 °C)

isotopic purity

99.5 atom % D

assay

≥99.5%

contains

1% TMS

expl. lim.

13.2 %

packaging

ampule of 10 g (prescored), bottle of 25 g, 50 g (screw cap)

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

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Packaging

10g in prescored ampules, 25g and 50g in screw-cap bottles

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
22731JI
20925JQ
15909HF
15402DQ
15107HQ

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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)
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)
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
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