Acetone-d6
ALDRICH/434531 - 99.9 atom % D, contains 0.03 % (v/v) TMS
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: 434531-25G
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: 434531-50G
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: 434531-10G-GL
| assay | ≥99% (CP) |
| bp | 55.5 °C (lit.) |
| contains | 0.03 % (v/v) TMS |
| 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 1 mL, 10 g |
| glass bottle of 10 g, 25 g, 50 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 may be used as an internal standard to detect aldehydes and acetone in water by headspace-solid-phase microextraction and gas chromatography-mass spectrometry. |
| General description: | Acetone-d6 is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is 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. |
| Packaging: | 10 g in ampule |
| Packaging: | 10×1 mL in ampule |
| Packaging: | 10, 25, 50 g in glass bottle |
| Recommended products: | Check out ChemisTwin® , our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial . |
| 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 |