propan-2-one
Acetone-d6
CAS: 666-52-4
Molecular Formula: C3D6O
propan-2-one - Names and Identifiers
| Name | Acetone-d6 |
| Synonyms | ACETONE-D Acetone-d6 propan-2-one (~2~H_6_)propan-2-one ACETONE-D6 DEUTERATION DEGREE MIN. 99.95 |
| CAS | 666-52-4 |
| EINECS | 211-563-9 |
| InChI | InChI=1/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3 |
propan-2-one - Physico-chemical Properties
| Molecular Formula | C3D6O |
| Molar Mass | 64.12 |
| Density | 0.872g/mLat 25°C(lit.) |
| Melting Point | −93.8°C(lit.) |
| Boling Point | 55.5°C(lit.) |
| Flash Point | 1°F |
| Water Solubility | Soluble in water. |
| Vapor Presure | 14.39 psi ( 55 °C) |
| Vapor Density | 2 (vs air) |
| Appearance | Liquid In Prescored Ampoules, (0.75Ml/ampoule) |
| Specific Gravity | 0.872 |
| Color | Colorless |
| BRN | 1702935 |
| PH | 5-6 (365g/l, H2O) |
| Storage Condition | Store below +30°C. |
| 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. |
| Explosive Limit | 2.6-12.8%(V) |
| Refractive Index | n20/D 1.355(lit.) |
propan-2-one - Risk and Safety
| Risk Codes | R11 - Highly Flammable R36 - Irritating to the eyes R66 - Repeated exposure may cause skin dryness or cracking R67 - Vapors may cause drowsiness and dizziness |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S33 - Take precautionary measures against static discharges. S23 - Do not breathe vapour. |
| UN IDs | UN 1090 3/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| HS Code | 2845 90 10 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 5800 mg/kg LD50 dermal Rabbit 20000 mg/kg |
propan-2-one - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Overview | deuterated acetone can be used as pharmaceutical synthesis intermediates, such as the preparation of a 7 Beta, deuterated acetone compound form A of 10 β-dimethoxydocetaxel. |
| purpose | deuterated acetone is mainly used as nuclear magnetic resonance reagent, pharmaceutical and synthesis, photoelectric material modification, laboratory special reagent, chemicals, scientific research, testing, etc. |
| preparation method | deuterated DMSO: the exchange of DMSO with heavy water under the action of alkaline catalyst (calcium oxide) is DMSO-d6, this process needs to be repeated many times to obtain high purity deuterated DMSO; Deuterated acetone: acetone and heavy water in the role of alkaline catalyst (LiOD) H-D exchange preparation; Deuterated benzene: deuterated benzene is obtained by the exchange of benzene with heavy water under transition metal catalysis; Deuterated tetrahydrofuran: prepared by the exchange of tetrahydrofuran with heavy water under transition metal catalysis; deuterated sodium hydroxide or deuterated potassium hydroxide can be prepared by the reaction of metal simple substance with heavy water; Deuterium gas: deuterium gas can be prepared by electrolyzing deuterium water; Lithium deuteride can be prepared by the reaction of lithium metal with deuterium gas; Similarly, sodium deuteride can be synthesized by the reaction of metal sodium and deuterium gas; With lithium deuteride, lithium aluminum deuteride has dropped, deuterated lithium aluminum (lithium aluminum deuteride, LiAlD4) it can be prepared by reacting lithium deuteride (LiD) with aluminum chloride. |
| autoignition temperature | 465°C DIN 51794 |
Last Update：2024-04-10 22:29:15
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CAS: 666-52-4
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CAS: 666-52-4
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