ACETONE-D6 99.9 ATOM % D (C005B-055990)

General description

Acetone-d₆ (CD₃COCD₃, Hexadeuteroacetone) is the hexadeuterated form of acetone, in which all hydrogen atoms in acetone molecule have been replaced by deuterium (D) atoms. It is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. Absorption spectra of CD₃COCD₃ samples cooled in molecular jet (jet-cooled) have been evaluated in the range of 51000-54000cm^-1. Collision of its molecular ions with a perdeuterated surface (C₂₀D₄₁ SAu) was investigated by ion-surface collision spectroscopy. The Infrared and Raman spectra of acetone-d₆ have been analyzed. It undergoes H-²H exchange reaction with acetone d₀ to afford acetone d₁ and d₅.

Application

Acetone-d₆ may be used as a deuterated solvent in the ¹H NMR spectral studies of iodine containing radiopaque poly(methacrylate)copolymers. It may also be used as a source of deuterium atoms in the synthesis of labelled sterols.

Legal Information

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Molecular Weight: 64.12. Empirical Formula: C₃D₆O. linearFormula: CD₃COCD₃. vapor density: 2 (vs air). Quality Level: 200. vapor pressure: 14.39 psi ( 55 °C), 184 mmHg ( 20 °C), 3.67 psi ( 20 °C). isotopic purity: 99.9 . atom % . D. Assay: ≥. 99% (CP). form: liquid. expl. lim.: 13.2 . %. packaging: Sure/Seal^™. of 100 g, ampule of 0.75 mL, 1 mL, 10 g, glass bottle of 25 g, 50 g. technique(s): NMR: suitable. impurities: ≤. 0.0500% water
water. refractive index: n20/D 1.355 (lit.). bp: 55.5 . °C (lit.). mp: −. 93.8 . °C (lit.). density: 0.872 . g/mL . at 25 . °C (lit.). mass shift: M+6. SMILES string: [2H]C([2H])([2H])C(: O)C([2H])([2H])[2H]. InChI: 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3. InChI key: CSCPPACGZOOCGX-WFGJKAKNSA-N. Pictograms: GHS02,GHS07. Signal Word: Danger. Hazard Statements: H225 - H319 - H336. Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338. Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3. Target Organs: Central nervous system. Supp Hazards: EUH066. Storage Class Code: 3 - Flammable liquids. WGK: WGK 1. Flash Point(F): -2.2 °F - closed cup. Flash Point(C): -19 °C - closed cup. Personal Protective Equipment: Eyeshields, Faceshields, Gloves.