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主要文件

1.00021

Sigma-Aldrich

Acetone-D6

deuteration degree min. 99.9% for NMR spectroscopy MagniSolv

别名:

Acetone-D6, Hexadeuteroacetone

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About This Item

经验公式(希尔记法):
C3D6O
CAS号:
分子量:
64.12
MDL编号:
UNSPSC代码:
12142201
EC索引号:
211-563-9
NACRES:
NA.22

蒸汽压

233 hPa ( 20 °C)

质量水平

表单

liquid

自燃温度

465 °C (DIN 51794)

效能

5800 mg/kg LD50, oral (Rat)
20000 mg/kg LD50, skin (Rabbit)

expl. lim.

2.6-12.8 % (v/v)

技术

NMR: suitable

杂质

≤0.020% Water (H<SUB>2</SUB>O) (NMR)
≤0.030% Water (H<SUB>2</SUB>O + D<SUB>2</SUB>O) (Karl Fischer)

pH值(酸碱度)

5-6 (365 g/L in H2O)

沸点

56.2 °C/1013 hPa

mp

-95.4 °C

转变温度

flash point <-20 °C

密度

0.88 g/cm3 at 20 °C

储存温度

2-30°C

SMILES字符串

O=C(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3

InChI key

CSCPPACGZOOCGX-WFGJKAKNSA-N

一般描述

A wide range of MagniSolv deuterated solvents with extremely low residual water, excellent chemical purity, and the highest isotopic enrichment available can satisfy the most demanding requirements of researchers. Depending on application and sensitivity of the NMR spectrometer our offer solvents with deuteration degrees between 98% and 99.96%. In case of all the water soluble deuterated standard products, water content is specified according to both Karl Fischer and NMR.

应用


  • Studying Cation Exchange in {Cr(7)Co} Pseudorotaxanes: Preparatory Studies for Making Hybrid Molecular Machines.: This study focuses on understanding the cation exchange process in pseudorotaxane structures, utilizing Acetone-D6 for NMR spectroscopy to characterize molecular interactions and movements within these hybrid molecular machines (Winpenny REP et al., 2024).


  • Poly(sulfobetaine)-Based Diblock Copolymer Thin Films in Water/Acetone Atmosphere: Modulation of Water Hydration and Co-nonsolvency-Triggered Film Contraction.: This research highlights the influence of Acetone-D6 in studying hydration and structural changes in polymeric films under varying environmental conditions, providing insights into the dynamics of hydrophilic and hydrophobic balances in diblock copolymers (Müller-Buschbaum P et al., 2022).


  • Profiling and quantification of aminophospholipids based on chemical derivatization coupled with HPLC-MS.: The use of Acetone-D6 in derivatization processes enhances the profiling and quantification of aminophospholipids, crucial for understanding lipid metabolism and interactions (Chen H et al., 2019).

  • Capturing Guest Dynamics in Metal-Organic Framework CPO-27-M (M = Mg, Zn) by (2)H Solid-State NMR Spectroscopy.: Utilizing Acetone-D6, this study explores the dynamic behavior of guests in metal-organic frameworks, contributing to the design of materials with tailored porosity and functionality (Huang Y et al., 2016).


  • Urinary profiling of cis-diol-containing metabolites in rats with bisphenol A exposure by liquid chromatography-mass spectrometry and isotope labeling.: This research employs Acetone-D6 in a novel isotopic labeling approach to enhance the detection and profiling of metabolites, providing valuable insights into the metabolic pathways affected by bisphenol A exposure (Cai Z et al., 2016).


分析说明

Deuteration degree: ≥ 99.90 %
Water (NMR, H₂O): ≤ 0.020 %
Performance test (NMR-spectrum): passes test
Water (K. Fischer, H₂O + D₂O): ≤ 0.030 %

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法律信息

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

象形图

FlameExclamation mark

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


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