1.00021

Acetone-D6

deuteration degree min. 99.9% for NMR spectroscopy MagniSolv^™

• Sinônimo(s): Acetone-D6, Hexadeuteroacetone
• Fórmula empírica (Notação de Hill): C₃D₆O
• Número CAS: 666-52-4
• Peso molecular: 64.12
• Número MDL: MFCD00044635
• Código UNSPSC: 12142201
• Número do índice EC: 211-563-9
• NACRES: NA.22

Propriedades

• pressão de vapor: 233 hPa ( 20 °C)
• Nível de qualidade: 200
• Formulário: liquid
• temperatura de autoignição: 465 °C (DIN 51794)
• potência: 5800 mg/kg LD₅₀, oral (Rat); 20000 mg/kg LD₅₀, skin (Rabbit)
• Lim. expl.: 2.6-12.8 % (v/v)
• técnica(s): NMR: suitable
• Impurezas: ≤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)
• p.e.: 56.2 °C/1013 hPa
• pf: -95.4 °C
• temperatura de transição: flash point <-20 °C
• densidade: 0.88 g/cm³ at 20 °C
• temperatura de armazenamento: 2-30°C
• cadeia de caracteres SMILES: O=C(C([2H])([2H])[2H])C([2H])([2H])[2H]
• InChI: 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
• chave InChI: CSCPPACGZOOCGX-WFGJKAKNSA-N

Descrição

Descrição geral

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.

Aplicação

• 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).

Nota de análise

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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Informações legais

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

Informações de segurança

• Pictogramas: GHS02,GHS07
• Palavra indicadora: Danger
• Frases de perigo: H225 - H319 - H336
• Declarações de precaução: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Classificações de perigo: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Órgãos-alvo: Central nervous system
• Perigos de suplementos: EUH066
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 1
• Ponto de fulgor (°F): -2.2 °F - closed cup
• Ponto de fulgor (°C): -19 °C - closed cup