1.00021

Acetone-D6

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

• Synonyme(s) : Acetone-D6, Hexadeuteroacetone
• Formule empirique (notation de Hill): C₃D₆O
• Numéro CAS: 666-52-4
• Poids moléculaire : 64.12
• Numéro MDL: MFCD00044635
• Code UNSPSC : 12142201
• Numéro de classement CE : 211-563-9
• Nomenclature NACRES : NA.22

Propriétés

• Pression de vapeur: 233 hPa ( 20 °C)
• Niveau de qualité: 200
• Forme: liquid
• Température d'inflammation spontanée: 465 °C (DIN 51794)
• Puissance: 5800 mg/kg LD₅₀, oral (Rat); 20000 mg/kg LD₅₀, skin (Rabbit)
• Limite d'explosivité: 2.6-12.8 % (v/v)
• Technique(s): NMR: suitable
• Impuretés: ≤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)
• Point d'ébullition: 56.2 °C/1013 hPa
• Pf: -95.4 °C
• Température de transition: flash point <-20 °C
• Densité: 0.88 g/cm³ at 20 °C
• Température de stockage: 2-30°C
• InChI: 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3
• Clé InChI: CSCPPACGZOOCGX-WFGJKAKNSA-N

Description

Description générale

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).

Remarque sur l'analyse

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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Informations légales

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

Informations sur la sécurité

• Pictogrammes: GHS02,GHS07
• Mention d'avertissement: Danger
• Mentions de danger: H225 - H319 - H336
• Conseils de prudence: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Classification des risques: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Organes cibles: Central nervous system
• Risques supp: EUH066
• Code de la classe de stockage: 3 - Flammable liquids
• Classe de danger pour l'eau (WGK): WGK 1
• Point d'éclair (°F): -2.2 °F - closed cup
• Point d'éclair (°C): -19 °C - closed cup