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1.00021

Sigma-Aldrich

Acetone-D6

deuteration degree min. 99.9% for NMR spectroscopy MagniSolv

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Synonym(s):
Acetone-D6, Hexadeuteroacetone
Empirical Formula (Hill Notation):
C3D6O
CAS Number:
Molecular Weight:
64.12
MDL number:
UNSPSC Code:
12142201
EC Index Number:
211-563-9
NACRES:
NA.22

vapor pressure

233 hPa ( 20 °C)

Quality Level

form

liquid

autoignition temp.

465 °C (DIN 51794)

potency

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

expl. lim.

2.6-12.8 % (v/v)

technique(s)

NMR: suitable

impurities

≤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

5-6 (365 g/L in H2O)

bp

56.2 °C/1013 hPa

mp

-95.4 °C

transition temp

flash point <-20 °C

density

0.88 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

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

InChI key

CSCPPACGZOOCGX-WFGJKAKNSA-N

Related Categories

General description

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.

Application


  • 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).


Analysis Note

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

Recommended products

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.

Legal Information

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

supp_hazards

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

-2.2 °F - closed cup

flash_point_c

-19 °C - closed cup


Certificates of Analysis (COA)

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