5-METHYL-1-HEXENE

The 1-Hexene, 5-methyl-, with the CAS registry number 3524-73-0, is also known as 5-Methylhex-1-ene. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks. Its EINECS number is 222-541-3. This chemical's molecular formula is C₇H₁₄ and molecular weight is 98.19. What's more, its IUPAC name is 5-methylhex-1-ene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light. It is used in organic synthesis.

Physical properties of 1-Hexene, 5-methyl- are: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 440.07; (6)ACD/BCF (pH 7.4): 440.07; (7)ACD/KOC (pH 5.5): 2715.44; (8)ACD/KOC (pH 7.4): 2715.44 ; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.404; (11)Molar Refractivity: 34.16 cm³; (12)Molar Volume: 139.5 cm³; (13)Polarizability: 13.54×10^-24cm³; (14)Surface Tension: 20.5 dyne/cm; (15)Density: 0.703 g/cm³; (16)Enthalpy of Vaporization: 31.22 kJ/mol; (17)Boiling Point: 85.4 °C at 760 mmHg; (18)Vapour Pressure: 77.8 mmHg at 25°C.

Preparation of 1-Hexene, 5-methyl-: this chemical can be prepared by (prop-2-ene-1-sulfonyl)-benzene, isobutylmagnesium bromide at the temperatu of 60 °C. This reaction will need reagents CuCl₂, PPh₃ and solvent tetrahydrofuran. The yield is about 80%.

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 should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). It is harmful as it may cause lung damage if swallowed. You must avoid contacting with skin and eyes. If swallowed, it will not induce vomiting, but you should seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCC=C
(2)InChI: InChI=1S/C7H14/c1-4-5-6-7(2)3/h4,7H,1,5-6H2,2-3H3
(3)InChIKey: JIUFYGIESXPUPL-UHFFFAOYSA-N