2-Methyl-2-butene

The 2-Methyl-2-butene, with the CAS registry number 513-35-9, is also known as beta-Isoamylene. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks; Building Blocks; Chemical Synthesis. Its EINECS number is 208-156-3. This chemical's molecular formula is C₅H₁₀ and molecular weight is 70.13. What's more, its systematic name is 2-Methyl-2-butene. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. It is is used for the dehydrogenation of isoprene, and it is also used as an intermediate to synthetize rubber and resins.

Physical properties of 2-Methyl-2-butene are: (1)ACD/LogP: 2.754; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 73.01; (6)ACD/BCF (pH 7.4): 73.01; (7)ACD/KOC (pH 5.5): 750.59; (8)ACD/KOC (pH 7.4): 750.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.396; (13)Molar Refractivity: 25.114 cm³; (14)Molar Volume: 104.485 cm³; (15)Polarizability: 9.956×10^-24cm³; (16)Surface Tension: 17.8 dyne/cm; (17)Density: 0.671 g/cm³; (18)Flash Point: -45.556 °C; (19)Enthalpy of Vaporization: 26.31 kJ/mol; (20)Boiling Point: 36.025 °C at 760 mmHg; (21)Vapour Pressure: 511.2 mmHg at 25°C.

Preparation: this chemical can be prepared by trimethyloxirane at the ambient temperature. This reaction will need reagents Mg, Cp₂TiCl₂ and solvent tetrahydrofuran with the reaction time of 12 hours. The yield is about 94%.

Uses of 2-Methyl-2-butene: it can be used to produce 3-Brom-2.3-dimethyl-1.1-dicyan-butan at the temperature of 25 °C. It will need reagent 2,2'-azobis-(2,4-dimethyl-4-methoxyvaleronitrile) and solvent CH₂Cl₂ with the reaction time of 12 hours. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable, so you should keep it away from sources of ignition - No smoking. It may form explosive peroxides. It is irritating to eyes, respiratory system and skin. This substance is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It is harmful as it may cause lung damage if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take precautionary measures against static discharges. When using it, you need wear suitable protective clothing. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). You shoud avoid releasing it to the environment, and you need refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: C(=C(\C)C)\C
(2)Std. InChI: InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3
(3)Std. InChIKey: BKOOMYPCSUNDGP-UHFFFAOYSA-N