1.00021
Acetone-D6
deuteration degree min. 99.9% for NMR spectroscopy MagniSolv™
Synonym(s):
Acetone-D6, Hexadeuteroacetone
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About This Item
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
SMILES string
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
General description
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
Water (NMR, H₂O): ≤ 0.020 %
Performance test (NMR-spectrum): passes test
Water (K. Fischer, H₂O + D₂O): ≤ 0.030 %
Other Notes
Legal Information
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signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system
supp_hazards
Storage Class
3 - Flammable liquids
wgk
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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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 1000210005 | 04022536704852 |
| 1000210100 | 04022536000664 |
| 1000210009 | 04022536000640 |
| 1000210010 | 04022536000657 |
| 1000210025 | 04022536686851 |