2,5-Dimethylhexa-2,4-diene
2,5-Dimethyl-2,4-hexadiene
CAS: 764-13-6
Molecular Formula: C8H14
2,5-Dimethylhexa-2,4-diene - Names and Identifiers
| Name | 2,5-Dimethyl-2,4-hexadiene |
| Synonyms | AI3-26989 NSC 10812 Biisocrotyl DIISOCROTYL Diisocrotyl Biisobutenyl TIMTEC-BB SBB008758 (2Z,6Z)-octa-2,6-diene 2,5-Dimethylhexa-2,4-diene 4-Hexadiene,2,5-dimethyl-2 2,5-DIMETHYL-2,4-HEXADIENE 2,5-Dimethyl-2,4-hexadiene 2,4-Hexadiene, 2,5-dimethyl- |
| CAS | 764-13-6 |
| EINECS | 212-115-5 |
| InChI | InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3-,6-4- |
2,5-Dimethylhexa-2,4-diene - Physico-chemical Properties
| Molecular Formula | C8H14 |
| Molar Mass | 110.2 |
| Density | 0.773g/mLat 25°C(lit.) |
| Melting Point | 12 °C |
| Boling Point | 132134°C |
| Flash Point | 85°F |
| Solubility | Chloroform, Ethyl Acetate |
| Vapor Presure | 26.9 mm Hg ( 37.7 °C) |
| Vapor Density | 3.8 (vs air) |
| Appearance | Oil |
| Color | Clear Colourless |
| BRN | 1733342 |
| Storage Condition | Flammables area |
| Refractive Index | n20/D 1.476(lit.) |
| Physical and Chemical Properties | This product is a colorless liquid, m. P. 12-14 °c, B. p.132 ~ 134 ℃,n20D 1.4290, relative density 0.773,f. P.85f (29 ℃), insoluble in water, soluble in alcohol, benzene and other organic solvents. |
2,5-Dimethylhexa-2,4-diene - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| 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. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 3295 3/PG 3 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29012900 |
| Hazard Class | 3 |
| Packing Group | III |
2,5-Dimethylhexa-2,4-diene - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | 2, 5-dimethyl-2, 4-hexadiene is an important intermediate for the preparation of the first chrysanthemum acid. |
| production method | the preparation method is obtained by dehydration of 2, 5-dimethyl-2, 5-hexanediol. Its dehydration has two processes, first decrystallizing water, and then intermolecular dehydration to obtain 2, 5-dimethyl-2, 4-hexadiene (abbreviated as Diene). Place 2, 5-dimethyl-2, 5-hexanediol (generally containing 40% of crystal water, or diol for short) in a reaction pan for heating, and the temperature of the liquid reaches 90-105 ° C or above to start dehydration, at 180 ° C., the water of crystallization is substantially removed, and the diol of the water of crystallization is subjected to the next step of removal of intermolecular water to yield 2, 5-dimethyl-2, 4-hexadiene. The intermolecular dehydration of 2, 5-dimethyl-2, 5-hexanediol to produce Diene includes two methods: Gas phase dehydration and liquid phase dehydration, and the more commonly used is gas phase dehydration, using molten 2, 5-dimethyl-2, 5-hexanediol is passed through a dehydration tower equipped with Al2O3 as a catalyst, and the temperature of the dehydration tower is at 180~300 ℃. When the reaction starts, the catalyst activity is high, and the dehydration temperature can be lower, after cooling, the generated Diene and water enter the receiver, are separated by layers, and the oil layer is dried and then distilled. The 130~132 ℃ fraction is 2, 5-dimethyl-2, 4-hexadiene. Such as the use of liquid phase dehydration, with orthophosphoric acid as catalyst, in the reaction of diol and orthophosphoric acid at 110 ℃ dehydration, the formation of diene and water, layer separation, oil fractionation to Diene. The disadvantage of this method is that the dilute phosphoric acid is highly corrosive and the dehydration conversion rate is low. Therefore, the gas phase dehydration method of diol is commonly used in industry to prepare Diene. 2, 5-dimethyl-2 can be obtained by the reaction of isobutene and isobutyraldehyde in an autoclave with niobic acid as a catalyst at 120~250 ℃ for 4H by sumitox Chemical Company of Japan, the conversion of 4-hexadiene, but of isobutyraldehyde, was 96.8% with a selectivity of only 56.7%. Later further development showed that with 1: 1 Fe2(SO4)3 and niobic acid as catalyst, at a pressure of 1 Under MPa, the conversion of isobutyraldehyde was 84.0%, and the selectivity was 79.4%. This method had good prospects for the preparation of Dienes. |
| autoignition temperature | 559 ° F. |
Last Update：2024-04-09 20:49:11
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