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Merck
CN

444715

Sigma-Aldrich

丙酮-D6

"100%", 99.96 atom % D

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
Beilstein:
1702935
EC 号:
MDL编号:
UNSPSC代码:
12142201
PubChem化学物质编号:
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蒸汽密度

2 (vs air)

质量水平

蒸汽压

14.39 psi ( 55 °C)
184 mmHg ( 20 °C)
3.67 psi ( 20 °C)

同位素纯度

99.96 atom % D

方案

≥99.00%

表单

liquid

expl. lim.

13.2 %

包装

pk of 10 × 0.75 mL

技术

GC/MS: suitable
NMR: suitable

杂质

≤0.0500% water
water

折射率

n20/D 1.355 (lit.)

沸点

55.5 °C (lit.)

mp

−93.8 °C (lit.)

密度

0.872 g/mL at 25 °C (lit.)

质量偏移

M+6

SMILES字符串

[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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一般描述

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.

应用

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.

其他说明

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

象形图

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警示用语:

Danger

危险声明

危险分类

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

靶器官

Central nervous system

补充剂危害

储存分类代码

3 - Flammable liquids

WGK

WGK 1

闪点(°F)

-2.2 °F - closed cup

闪点(°C)

-19 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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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