454133
丙酮-D6
99.9 atom % D, contains 1 % (v/v) TMS
别名:
氘代丙酮
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线性分子式:
CD3COCD3
化学文摘社编号:
分子量:
64.12
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
EC Number:
211-563-9
Beilstein/REAXYS Number:
1702935
MDL number:
产品名称
丙酮-D6, 99.9 atom % D, contains 1 % (v/v) TMS
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
99.9 atom % D
assay
≥99% (CP)
form
liquid
contains
1 % (v/v) TMS
expl. lim.
13.2 %
packaging
ampule of 10 g
glass bottle of 25 g, 50 g
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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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.
General description
Acetone-d6 is a deuterated NMR solvent containing 1% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. 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.
Other Notes
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signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Respiratory system
supp_hazards
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
-2.2 °F - closed cup
flash_point_c
-19 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
法规信息
危险化学品
此项目有
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)
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.
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)
Neue Synthese von Aceton-d6.
Hunziker H, et al.
Helvetica Chimica Acta, 45(1), 59-62 (1962)
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
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