Acetone-d6
ALDRICH/151793 - 99.9 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
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 151793-25G
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 151793-50G
| 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 | 99.9 atom % D |
| mass shift | M+6 |
| mp | −93.8 °C (lit.) |
| packaging | ampule of 0.75 mL, 1 mL, 10 g |
| glass bottle of 25 g, 50 g | |
| Sure/Seal™ of 100 g | |
| Quality Level | 200  |
| 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 may be used as a deuterated solvent in the 1H NMR spectral studies of iodine containing radiopaque poly(methacrylate)copolym |
| 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Hexadeuteroacetone) is the hexadeuterated form of acetone, in which all hydrogen atoms in acetone molecule have been replaced by deuterium (D) atoms.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. |
| Legal Information: | Sure/Seal is a trademark of Sigma-Aldrich Co. LLC |
| Packaging: | 10 g in ampule |
| Packaging: | 10×0.75, 10×1 mL in ampule |
| Packaging: | 100 g in Sure/Seal™ |
| Packaging: | 25, 50 g in glass bottle |
| 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 |