3,3-二甲基-1-丁烯(含稳定剂BHT)
3,3-Dimethyl-1-butene
CAS: 558-37-2
Molecular Formula: C6H12
3,3-二甲基-1-丁烯(含稳定剂BHT) - Names and Identifiers
| Name | 3,3-Dimethyl-1-butene |
| Synonyms | Neohexene tert-Hexene tert-Butylethene 3,3-Dimethylbutene TERT-BUTYLETHYLENE 3,3-Dimethy-1-butene 3,3-dimethyl-1-buten 3,3-dimethylbut-1-ene 2,2-Dimethyl-3-Butene 3,3-Dimethyl-1-butene 1-Butene, 3,3-dimethyl- tert-Butylethylene~Neohexene Neohexene (3,3-dimethylbutene) 3,3-Dimethyl-1-butenee(neotene) 3,3-DIMETHYL-1-BUTENE, STANDARD FOR GC |
| CAS | 558-37-2 |
| EINECS | 209-195-9 |
| InChI | InChI=1/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3 |
| InChIKey | PKXHXOTZMFCXSH-UHFFFAOYSA-N |
3,3-二甲基-1-丁烯(含稳定剂BHT) - Physico-chemical Properties
| Molecular Formula | C6H12 |
| Molar Mass | 84.16 |
| Density | 0.653 g/mL at 25 °C (lit.) |
| Melting Point | -115 °C (lit.) |
| Boling Point | 41 °C (lit.) |
| Flash Point | −20°F |
| Water Solubility | Not miscible or difficult to mix in water. |
| Vapor Presure | 6.96 psi ( 20 °C) |
| Vapor Density | >1 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| BRN | 1697101 |
| Storage Condition | 2-8°C |
| Explosive Limit | 1.2%(V) |
| Refractive Index | n20/D 1.376(lit.) |
| Physical and Chemical Properties | bp (°C): 50 |
3,3-二甲基-1-丁烯(含稳定剂BHT) - Risk and Safety
| Risk Codes | R11 - Highly Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R65 - Harmful: May cause lung damage 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. S33 - Take precautionary measures against static discharges. S36 - Wear suitable protective clothing. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 3295 3/PG 2 |
| WGK Germany | 3 |
| RTECS | BS8000000 |
| TSCA | Yes |
| HS Code | 29012980 |
| Hazard Class | 3 |
| Packing Group | II |
3,3-二甲基-1-丁烯(含稳定剂BHT) - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| production method | 1. preparation method: O-1,2,2-trimethylpropyl-S-methyl xanthate (3): 2-methyl butanol -248.5g(60mL,0.55mol) is added to a reaction bottle equipped with a stirrer, a thermometer and a reflux condenser, 750mL of toluene dried with sodium metal is heated and refluxed, 21g(0.55mol) of metallic potassium was added in batches. After all potassium reactions are completed, 3,3-dimethyl butanol -2(2)51g(0.5mol) is slowly added and fully stirred. Cooling, slowly adding 57g(0.75mol) of carbon disulfide, after the reaction, cooling to room temperature to obtain orange suspended matter, then slowly adding 78g(0.55mol) of methyl iodide, heating and reflux in water bath for 5h. Cool, leave overnight, and filter out potassium iodide. Decompression distillation, first distilled toluene and alcohol, and then collected the fraction at 85~87 ℃/800Pa to obtain 65g of O-1,2, 2-trimethylpropyl-S-methyl orthoester (3) with a yield of 71%. 3, 3-Dimethyl-1-butene (1): In a round bottom flask equipped with a distillation device (the receiving bottle is cooled with ice water), add the above O-1,2, 2-trimethylpropyl-S-methyl xanthate (3), the alcohol lamp is heated to boiling, and the decomposition product is continuously evaporated. After finishing, the distillate solution is washed three times with cold 20% sodium hydroxide aqueous solution, then washed with cold water, anhydrous sodium sulfate is dried and distilled, and the fraction at 40~42 ℃ is collected to obtain 3, 3-dimethyl-1-butene (1)24g with a yield of 53%. [1] |
Last Update：2024-04-10 22:29:15
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