444715
丙酮-D6
"100%", 99.96 atom % D
别名:
氘代丙酮
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关于此项目
线性分子式:
CD3COCD3
化学文摘社编号:
分子量:
64.12
EC Number:
211-563-9
UNSPSC Code:
12142201
PubChem Substance ID:
Beilstein/REAXYS Number:
1702935
MDL number:
Isotopic purity:
99.96 atom % D
Assay:
≥99.00%
Mass shift:
M+6
Form:
liquid
form
liquid
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
99.96 atom % D
assay
≥99.00%
expl. lim.
13.2 %
packaging
pk of 10 × 0.75 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
Quality Level
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General description
Acetone-d6 is a deuterated NMR solvent. It is a 100% NMR solvent, that implies it is isotopically enriched and is useful in high resolution NMR. The Infrared and Raman spectra of acetone-d6 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.
Other Notes
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signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system
supp_hazards
存储类别
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
法规信息
新产品
此项目有
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.
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)
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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