Benzene,1-methyl-4-(1-methylethenyl)- (1195-32-0)

The IUPAC name of 4-Isopropenyltoluene is 1-methyl-4-prop-1-en-2-ylbenzene. With the CAS registry number 1195-32-0, it is also named as Benzene, 1-methyl-4-(1-methylethenyl)-. The product's categories are alcohol & phenol & ethers, alphabetical listings, c-d and flavors and fragrances. It should be stored in cool and dry place, and you should keep container sealed tightly and ensure that the workplaces have good ventilation or exhaust. In addition, it is clear colorless to light yellow liquid, its molecular formula is C₁₀H₁₂ and molecular weight is 132.2.

The other characteristics of this product can be summarized as: (1)EINECS: 214-795-9; (2)FEMA: 3144; (3)ACD/LogP: 3.71; (4)# of Rule of 5 Violations: 0; (5)ACD/LogD (pH 5.5): 3.71; (6)ACD/LogD (pH 7.4): 3.71; (7)ACD/BCF (pH 5.5): 390.05; (8)ACD/BCF (pH 7.4): 390.05; (9)ACD/KOC (pH 5.5): 2490.76; (10)ACD/KOC (pH 7.4): 2490.76; (11)H bond acceptors: 0; (12)H bond donors: 0; (13)Freely Rotating Bonds: 1; (14)Index of Refraction: 1.509; (15)Molar Refractivity: 45.27 cm³; (16)Molar Volume: 151.5 cm³; (17)Polarizability: 17.94×10^-24cm³; (18)Surface Tension: 28.4 dyne/cm; (19)Density: 0.872 g/cm³; (20)Flash Point: 59.4 °C; (21)Melting point: -28 °C; (22)Enthalpy of Vaporization: 40.71 kJ/mol; (23)Boiling Point: 188.3 °C at 760 mmHg; (24)Vapour Pressure: 0.834 mmHg at 25 °C.

Preparation of 4-Isopropenyltoluene: this chemical can be prepared by 2-(4-Methylphenyl)-2-thiomethoxy-1,3-dithiane and Methylmagnesium iodide.

This reaction needs NiCl₂(PPh₃)₂, Diethyl ether and Benzene to heating. The yield is 91 % .

Uses of 4-Isopropenyltoluene: it can reacts with Formaldehyde to get 3-p-Methylphenyl-3-buten-1-ol.

This reaction needs Zr(4+)-mont and acetonitrile at temperature of 80 °C. The reaction time is 24 hours. The yield is 56 %.

When you are using this chemical, please be cautious about it as the following: 4-Isopropenyltoluene is irritating to eyes, respiratory system and skin. So please wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
SMILES:C=C(\c1ccc(cc1)C)C
InChI:InChI=1/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
InChIKey:MMSLOZQEMPDGPI-UHFFFAOYAY
Std. InChI:InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
Std. InChIKey:MMSLOZQEMPDGPI-UHFFFAOYSA-N