Acetone-d6
ALDRICH/175862 - "100%", 99.96 atom % D
Synonym: Hexadeuteroacetone
CAS Number: 666-52-4
Empirical Formula (Hill Notation): C3D6O
Molecular Weight: 64.12
EC Number: 211-563-9
MDL Number: MFCD00044635
Linear Formula: CD3COCD3
Product Type: Chemical
| assay | ≥99% (CP) |
| bp | 55.5 °C (lit.) |
| density | 0.872 g/mL at 25 °C (lit.) |
| expl. lim. | 13.2 % |
| form | liquid |
| impurities | ≤0.0500% water water |
| InChI | 1S/C3H6O/c1-3(2)4/h1-2H3/ |
| InChI key | CSCPPACGZOOCGX-WFGJKAKNSA |
| isotopic purity | 99.96 atom % D |
| mass shift | M+6 |
| mp | −93.8 °C (lit.) |
| packaging | ampule of 0.5, 0.75 mL, 5 g |
| glass bottle of 25 g | |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | [2H]C([2H])([2H])C(=O)C([ |
| technique(s) | NMR: suitable |
| vapor density | 2 (vs air) |
| vapor pressure | 14.39 psi ( 55 °C) |
| 184 mmHg ( 20 °C) | |
| 3.67 psi ( 20 °C) |
| Application: | Acetone-d6 has been used as a solvent for the NMR (Nuclear Magnetic Resonance) spectral investigation of (S)-2-(6-((3-((15-carboxype |
| General description: | 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. |
| General description: | Acetone-d6 can be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst. |
| Packaging: | 10×0.5, 10×0.75, 10×0.8 mL in ampule |
| Packaging: | 25 g in glass bottle |
| Packaging: | 5 g in ampule |
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| Symbol |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225 - H319 - H336 |
| Precautionary statements | P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338 |
| Hazard Codes | F,Xi |
| Risk Statements | 11-36-66-67 |
| Safety Statements | 9-16-26 |
| 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 |
| Supplemental Hazard Statements | EUH066 |
| Purity | ≥99% (CP) |
| bp | 55.5 °C (lit.) |
| mp | −93.8 °C (lit.) |
| Density | 0.872 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12142201 |