Acetone-d6 (CAS 666-52-4) is a high-purity deuterated solvent in which all six hydrogen atoms of the acetone molecule are fully substituted with deuterium. It is professionally formulated for high-precision NMR spectroscopic analysis, featuring an ultra-high deuteration degree ranging from 99.8% to 99.95 atom % D, effectively eliminating proton background interference during spectral testing.
This product is commonly supplied with 1% TMS (v/v) as an internal standard, which provides accurate chemical shift calibration for routine laboratory analysis. With excellent chemical stability and a clean spectroscopic baseline, Acetone-d6 is ideal for 1H NMR, 13C NMR and other multi-dimensional NMR measurements. It delivers reliable, repeatable data for organic compound identification, structural elucidation, reaction monitoring and quantitative analysis.
As a universal polar deuterated solvent, Acetone-d6 exhibits outstanding solubility for a wide range of organic chemicals, pharmaceutical intermediates, natural products and polymer materials. It is widely applied in pharmaceutical research, academic laboratories, fine chemical development and material science industries.
Our Acetone-d6 strictly maintains consistent isotopic purity and low residual proton content batch by batch, ensuring stable spectral performance and meeting high-standard analytical requirements for both industrial and scientific research use.
Basic Product Information
CAS Number: 666-52-4
Chemical Formula: C₃D₆O
Synonyms: Acetone-d6 with TMS, Deuterated Acetone, Hexadeuteroacetone
Deuteration Degree: Min. 99.8%~99.95 atom % D
Appearance: Colorless transparent liquid
Standard Composition: 99:1 v/v (Acetone-d6 : TMS)
Packaging & Supply
MOQ: 1 FCL
Packaging: UN-certified professional dangerous goods packaging
Available Documents: COA, SDS/TDS, Packing List, Commercial Invoice
| ACETONE-D6 Chemical Properties |
| Melting point | -94°C |
| Melting point | −93.8 °C(lit.) |
| Boiling point | 55.5 °C(lit.) |
| Boiling point | 56,5°C |
| density | 0.872 g/mL at 25 °C(lit.) |
| density | d = 0,87 |
| vapor density | 2 (vs air) |
| vapor pressure | 14.39 psi ( 55 °C) |
| refractive index | n |
| Fp | 1 °F |
| storage temp. | Store below +30°C. |
| form | Liquid In Prescored Ampoules, (0.75Ml/ampoule) |
| Specific Gravity | 0.872 |
| color | Colorless |
| PH | 5-6 (365g/l, H2O) |
| explosive limit | 2.6-12.8%(V) |
| Water Solubility | Soluble in water. |
| BRN | 1702935 |
| Stability: | Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flashpoint and wide explosion limits. Incompatible with bases, oxidising agents, strong acids, reducing agents. Protect from moisture. |
| InChI | 1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3 |
| InChIKey | CSCPPACGZOOCGX-WFGJKAKNSA-N |
| SMILES | [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H] |
| CAS DataBase Reference | 666-52-4(CAS DataBase Reference) |
| EPA Substance Registry System | Acetone-d6 (666-52-4) |
| Safety Information |
| Hazard Codes | F,Xi |
| Risk Statements | 11-36-66-67 |
| Safety Statements | 9-16-26-33-23 |
| RIDADR | UN 1090 3/PG 2 |
| WGK Germany | 3 |
| F | 10-21 |
| Autoignition Temperature | 465 °C DIN 51794 |
| HS Code | 2845 90 10 |
| HazardClass | 3 |
| PackingGroup | II |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 2 STOT SE 3 |
| Toxicity | LD50 orally in Rabbit: 5800 mg/kg LD50 dermal Rabbit 20000 mg/kg |
