Introduction：Basic information about ACETONE-D6 CAS 666-52-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
ACETONE-D6 Basic information
| Product Name: | ACETONE-D6 |
| Synonyms: | Acetone-d6 + TMS (99:1 v/v), deuteration degree min. 99,8%, NMR spectroscopy grade, Spectrosol;Acetone-D6(D99.8%)+TMS(0.03%);Acetone-d6, packaged in 0.75ml ampoules, 100.0 atom % D, for NMR;Acetone-d6, packaged in 0.75 ml ampoules, 99.5 atom % D, for NMR;Acetone-d6, 99.8 atom % D, AcroSeal, for NMR;ACETONE-D6 DEUTERATION DEGREE MIN. 99.95;ACETONE-D6, 99.9 ATOM % D (CONTAINS 1% &;ACETONE-D6, "100.0" (MIN. 99.96 ATOM % D)(1pkg=10X1,0ml) |
| CAS: | 666-52-4 |
| MF: | C3D6O |
| MW: | 64.12 |
| EINECS: | 211-563-9 |
| Product Categories: | Acetone-d6;A;Acetone;Aldrich High Purity NMR Solvents for Routine NMR;Alphabetical Listings;High Throughput NMR;Labware;NMR;NMR Solvents;NMR Solvents and Reagents;Routine NMR;Solvent by Application;Solvent by Type;Solvents;Solvents for High Throughput NMR;Spectroscopy Solvents (IR;Stable Isotopes;Tubes and Accessories;UV/Vis);Aldrich 100% NMR Solvents for High Resolution;High Resolution NMR;Deuterated Compounds for NMR;NMR Spectrometry;Analytical Chemistry |
| Mol File: | 666-52-4.mol |
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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 | n20/D 1.355(lit.) |
| 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 |
ACETONE-D6 Usage And Synthesis
| Chemical Properties | colourless liquid |
| Uses | Isotope labelled Acetone is a common organic building block in organic chemistry. |
| Uses | 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. |
| Uses | Acetone-d6 may be used as a deuterated solvent in the 1H NMR spectral studies of iodine containing radiopaque poly(methacrylate)copolymers. It may also be used as a source of deuterium atoms in the synthesis of labelled sterols. |
| Definition | ChEBI: A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. |
| General Description | Acetone-d6 can be prepared by reacting heavy water with propyne-d4 in the presence of mercury catalyst. |
ACETONE-D6 Preparation Products And Raw materials
| Raw materials | FORMIC-D ACID, POTASSIUM SALT-->2-PROPANOLE-D7-->2-PROPANOL-D8-->ACETIC ACID-D4-->ACETYLENE-D2-->2-PROPANOL-1,1,1,3,3,3-D6-->2-Heptanone-->N,O-Dimethylhydroxylamine hydrochloride-->Acetophenone |
| Preparation Products | 4-OXO-2,2,6,6-TETRAMETHYLPIPERIDINE-D16-1-OXYL |
