Acetone-d6
Empirical Formula (Hill Notation): | C3D6O |
Linear Formula: | CD3COCD3 |
CAS Number: | 666-52-4 |
Molecular Weight: | 64.12 |
Beilstein/REAXYS Number: | 1702935 |
EC Number: | 211-563-9 |
MDL number: | MFCD00044635 |
PubChem Substance ID: | 24850533 |
NACRES: | NA.21 |
Кат. номер |
175862-10X0.8ML-NA |
175862-10X0.6ML-NA |
175862-5G |
175862-10X0.8ML-N |
175862-10X0.5ML |
175862-10X0.75ML |
175862-25G |
Acetone-d6 can be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst.
Acetone-d6 (CD3COCD3, Hexadeuteroacetone) is the hexadeuterated form of acetone. It is 100% NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. 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.4 It undergoes H-2H exchange reaction with acetone d0 to afford acetone d1 and d5.
Acetone-d6 has been used as a solvent for the NMR (Nuclear Magnetic Resonance) spectral investigation of (
S)-2-(6-((3-((15-carboxypentadecyl)disulfanyl)propoxy)carbonyloxy)benzo[
d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid.
5 g in ampule
25 g in glass bottle
10×0.5, 10×0.75 mL in ampule
Quality Level | 100, |
vapor density | 2 (vs air) |
vapor pressure | 14.39 psi ( 55 °C), 184 mmHg ( 20 °C), 3.67 psi ( 20 °C) |
isotopic purity | 99.96 atom % D |
assay | 99% (CP) |
form | liquid |
expl. lim. | 13.2 % |
packaging | ampule of 0.5, 0.75 mL, 5 g, glass bottle of 25 g |
application(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 |
signalword | Danger |
hcodes | H225 - H319 - H336 |
pcodes | P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338 |
Target Organs | Central nervous system |
Supp Hazards | EUH066 |
Personal Protective Equipment | Eyeshields,, Faceshields,, Gloves, |
RIDADR | UN1090 - class 3 - PG 2 - Acetone |
WGK Germany | WGK 1 |
Flash Point F | -2.2 °F - closed cup |
Flash Point C | -19 °C - closed cup |