3-PENTEN-2-ONE
3-penten-2-one
CAS: 625-33-2
Molecular Formula: C5H8O
3-PENTEN-2-ONE - Names and Identifiers
| Name | 3-penten-2-one |
| Synonyms | 3-penten-2-one 2-Oxo-3-pentene pent-3-en-2-one ethylideneacetone Ethylidene acetone (3E)-3-Penten-2-one (3E)-pent-3-en-2-one (3Z)-pent-3-en-2-one Methyl 1-propenyl ketone 3-penten-2-one (methyl vinyl ketone) |
| CAS | 625-33-2 |
| EINECS | 210-888-3 |
| InChI | InChI=1/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3- |
3-PENTEN-2-ONE - Physico-chemical Properties
| Molecular Formula | C5H8O |
| Molar Mass | 84.12 |
| Density | 0.862 g/mL at 25 °C (lit.) |
| Melting Point | <2% ethanol |
| Boling Point | 121-124 °C (lit.) |
| Flash Point | 70°F |
| JECFA Number | 1124 |
| Water Solubility | Slightly soluble in Water |
| Vapor Presure | 760 mm Hg ( 121 °C) |
| Appearance | Liquid |
| Color | Clear colorless |
| BRN | 1633505 |
| Storage Condition | Sealed in dry,2-8°C |
| Stability | Stable. Flammable. Incompatible with strong oxidizing and strong reducing agents, strong acids, strong bases. |
| Refractive Index | n20/D 1.437(lit.) |
| MDL | MFCD00009290 |
3-PENTEN-2-ONE - Risk and Safety
| Risk Codes | R11 - Highly Flammable R21 - Harmful in contact with skin R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 1992 3/PG 2 |
| WGK Germany | 3 |
| RTECS | SB3850000 |
| FLUKA BRAND F CODES | 10-19 |
| TSCA | Yes |
| HS Code | 29141990 |
| Hazard Class | 3 |
| Packing Group | II |
3-PENTEN-2-ONE - Reference Information
| FEMA | 3417 | 3-PENTEN-2-ONE |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| production method | 1. Found in Cranberry, bilberry, fried peanut, potato chips. It is prepared by condensation and dehydration of acetone and acetaldehyde under basic conditions, or reaction of propylene with acetyl chloride in the presence of aluminum trichloride. 2. Note that this reaction must be performed in a fume hood. The 2-liter three-necked flask was fitted with an effective mechanical stirrer, a gas input tube (extending almost to the bottom of the bottle), and a highly efficient reflux condenser with a calcium chloride drying tube. After the apparatus was allowed to dry in an oven, 800 of dry methylene chloride and 157g (142, 2.0 mol) of ethyl phthalate chloride were placed in the bottle. The solution was stirred and 320g of 2.4} mol) powdery anhydrous aluminum trichloride was added in portions over a period of minutes. Once the addition is complete, a stream of propylene is passed through the continuously stirred reaction solution at a rate sufficient to maintain gentle reflux. Gas addition was continued until no further heat evolution and reflux was stopped (10-30 hours). At this point the inside of the bottle is nearly full, and when stirring is stopped, the contents are separated into two layers. The contents of the bottle were carefully poured onto 1.5 of ice. The upper organic layer was separated. The aqueous layer was extracted with 3 parts} 0} ml of dichloromethane. The organic solutions were combined, washed with 50 ml of water and dried over anhydrous magnesium sulfate. The resulting dark brown solution was placed in a national bottom flask equipped with a thermometer, a magnetic stirrer, and a reduced-pressure tin evaporation apparatus, and heated with a heating mantle. While maintaining the mixture at 0 °c, the mixture was distilled under reduced pressure using a water pump. Most of the distilled out of the mixture is dichloromethane and volatile hydrocarbons. After most of the solvent has been distilled off, a 1 liter round bottom flask cooled in a dry ice-isopropanol bath is attached to the tin evaporation unit as a receiver, the pressure was reduced to lmm. The viscous liquid in the steamed radium bottle was slowly heated from 0 °c to 45 °c in 90 minutes using a heating mantle. At this time, the volatile products (containing dichloromethane, low molecular weight hydrocarbons, 4 chloro pentane -2 ketone and 3 pentene 2 ketone) were distilled out. Between 400 and 500g of a pale green distillate are obtained, mixed with 256G (1i mol) of the bite phase, and then heated to boiling. In order to remove residual methylene chloride and other low-boiling substances, the mixture is distilled radium until the temperature of the distillate rises to 110-120 °c. The remaining solution is refluxed for 30 minutes and then cooled, the mixture was diluted with previously distilled distillate and 200 ml of pentane, and the resulting solution was washed with several portions of 250 ml of 10% aqueous hydrochloric acid until the aqueous wash became acidic. The aqueous solutions were combined and acidified. Shake with 3 parts of 100mm pentane. The organic solutions were combined, washed with 50 ml of saturated sodium bicarbonate solution and then dried over anhydrous magnesium sulfate. The obtained organic solution was subjected to a 30cm long pine needle-shaped fractionation column, and a 119-124 ° C. Fraction was collected. The rent product weighed 42-63G (25-37%). The purity was 86-92%. If a higher purity product is desired, a 60cm spinneret column may be used for distillation. Due to distillation may be accompanied by a, beta unsaturated ketone partial isomerization into a lower boiling point of the ISO Beta, Gamma isomer, Fractionation of the resulting product should be subject to acid catalytic equilibrium treatment. A typical method of purification is to mix 79.4G of a mixture of pentene -2-one isomers having a boiling point of 117 to 119 from the fractional distillation with 400 mg of p-toluenesulfonic acid and reflux for 30 minutes. The resulting mixture was diluted with 100 ml of ether, then washed with 50 ml of saturated aqueous sodium bicarbonate solution and dried over anhydrous magnesium sulfate. 3. Tobacco: FC,40. |
Last Update：2024-04-10 22:29:15
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