1-Pentene,2,4,4-trimethyl-

The 1-Pentene,2,4,4-trimethyl-, with the CAS registry number 107479-55-0, is also known as 2,2,4-Trimethyl-4-pentene. This chemical's molecular formula is C₈H₁₆ and molecular weight is 112.21. What's more, its systematic name is 2,4,4-trimethylpent-1-ene. Its classification code is Mutation data. It should be sealed and stored in a cool, ventilated and dry place. The temperature of the storeroom should not exceed 30°C. What's more, it should be protected from strong oxides, acids, heat and fire. It is used to prepare synthetic rubber viscous agents, all kinds of surfactants, ultraviolet absorbers, PVC stabilizers and so on.

Physical properties of 1-Pentene,2,4,4-trimethyl- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/BCF (pH 5.5): 841.43; (5)ACD/KOC (pH 5.5): 4318.47; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.411; (8)Molar Refractivity: 38.64 cm³; (9)Molar Volume: 155.5 cm³; (10)Surface Tension: 20.4 dyne/cm; (11)Density: 0.721 g/cm³; (12)Enthalpy of Vaporization: 32.65 kJ/mol; (13)Boiling Point: 101.4 °C at 760 mmHg; (14)Vapour Pressure: 40.6 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-propene at the temperature of 99.9 °C. This reaction will need reagent ferrierite/alumina. The yield is about 94.5%.

Uses of 1-Pentene,2,4,4-trimethyl-: it can be used to produce 2-t-butyl-4-t-octylphenol at the ambient temperature. It will need reagent AlCl₃ with the reaction time of 7 hours. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. You need keep the container in a well-ventilated place. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. You must not empty it into drains. You should take precautionary measures against static discharges. It must be avoided releasing to the environment just refering to special instructions/safety data sheetprotection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=C)CC(C)(C)C
(2)InChI: InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
(3)InChIKey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N