67-64-1

Acetone, with the CAS register number 67-64-1, is a clear colorless liquid with a sweetish odor. The substance which is the organic compound with the formula C₃H₆O has EINECS register number 200-662-2. Acetone is soluble in water. Acetone can form explosive mixtures with chromic anhydride, chromyl alcohol, hexacholromelamine, hydrogen peroxide, permonosulfuric acid, potassium terbutoxide and thioglycol. You should keep Acetone away from heat, sparks and flame. What's more, Acetone should be stored in a cool, dry place, and its container should be kept closed when not in use. In addition, Acetone can be restored by reductant into isopropyl alcohol and pinacolone. Acetone is relatively stable with oxidan, however, reacts with strong oxidizer oxidation, like alkaline potassium permanganate or chromium acid, can generate acetic acid, formic acid, carbon dioxide and water.

Physical properties about Acetone are: (1)ACD/LogP: -0.042; (2)ACD/LogD (pH 5.5): -0.04; (3)ACD/LogD (pH 7.4): -0.04; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 22.61; (7)ACD/KOC (pH 7.4): 22.61; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.345; (10)Molar Refractivity: 15.977 cm3; (11)Molar Volume: 75.176 cm³; (12)Polarizability: 6.334 10-24cm³; (13)Surface Tension: 18.818000793457 dyne/cm; (14)Density: 0.773 g/cm³; (15)Flash Point: -17.222 °C; (16)Enthalpy of Vaporization: 29.1 kJ/mol; (17)Boiling Point: 46.458 °C at 760 mmHg; (18)Vapour Pressure: 348.445007324219 mmHg at 25°C

Preparation of Acetone: Previously, Acetone was produced by the dry distillation of acetates, for example calcium acetate. During World War I, Acetone was produced via bacterial fermentation, as developed by Chaim Weizmann in order to help the British war effort. This Acetone Butanol Ethanol process was abandoned due to the small yields. Nowadays, Acetone is produced directly or indirectly from propylene. Approximately 83 % of Acetone is produced via the cumene process, as a result, acetone production is tied to phenol production. In the cumene process, benzene is alkylated with propylene and the resulting cumene (isopropylbenzene) is oxidized by air to give phenol and Acetone:

Besides, Acetone can be produced by acetylene with water vapor using zinc oxide as the catalyst.

2 C₂H₂ + 3 H₂O → (CH₃)₂CO + CO₂↑ + 2 H₂↑

In addition, oxidation or dehydrogenation of isopropyl alcohol can be used to prepare Acetone. The isopropyl alcohol reacts with hydrogen peroxide to give Acetone. The isopropyl alcohol and acraldehyde can be used to generate Acetone.

Uses of Acetone: Acetone is also used extensively as a solvent for the safe transporting and storing of acetylene, which cannot be safely pressurized as a pure compound. Acetone is used in a variety of general medical and cosmetic applications and is also listed as a component in food additives and food packaging. In the laboratory, Acetone is used as a polar aprotic solvent in a variety of organic reactions, such as SN₂ reactions.It also can be used as the active ingredient in nail polish remover and as paint thinner. Acetone is a good solvent for most plastics and synthetic fibers including those used in laboratory bottles made of polystyrene, polycarbonate and some types of polypropylene. It also can be used as a solvent and production of methyl methacrylate and bisphenol A. The procedures of producing methyl methacrylate and bisphenol A are as the following:

(CH₃)₂CO + HCN → (CH₃)₂C(OH)CN
(CH₃)₂C(OH)CN + CH₃OH → CH₂=(CH₃)CCO₂CH₃ + NH₃
(CH₃)₂CO + 2 C₆H₅OH → (CH₃)₂C(C₆H₄OH)₂ + H₂O

When you are using Acetone, you should be very cautious about it. Acetone is highly flammable and irritant, which is irritating to eyes. If repeated exposure, Acetone may cause skin dryness or cracking. Its vapours may cause drowsiness and dizziness. In addition, you should keep its container in a well-ventilated place and keep Acetone away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C
(2)InChI: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
(3)InChIKey: CSCPPACGZOOCGX-UHFFFAOYSA-N

The toxicity data is as follows: