Acetone-d6 is a deuterated NMR solvent useful in NMR-based research and analyses. Its Infrared and Raman spectra have been analyzed. Pyrolysis and photolysis of acetone-d6 and methane mixtures have been investigated as a function of temperature. It has been reported to be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst.
Synonyms: Hexadeuteroacetone
Molecular Formula: C3D6O
Molecular Weight: 64.12
Linear Structural Formula: CD3COCD3
MDL Number: MFCD00044635
Purity: >=99% (CP)
Melting Point: -93.8 C (lit.)
Density: 0.872 g/mL at 25 C (lit.)
Refractive Index: n20/D 1.355 (lit.)
Application: Acetone-d6 may be used as an internal standard to detect aldehydes and acetone in water by headspace-solid-phase microextraction and gas chromatography-mass spectrometry.
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BP: 55.5°C(lit.)
Density: 0.872 g/mL at 25°C(lit.)
Expl. Lim.: 13.2 %
Isotopic Purity: 99.9 atom % D
Mass Shift: M+6
MP: −93.8°C(lit.)
Refractive Index: n20/D 1.355(lit.)
Vapor Density: 2 (vs air)
Vapor Pressure: 3.67 psi ( 20°C)