The 4-tert-Butyltoluene is an organic compound with the formula C₁₁H₁₆. The IUPAC name of this chemical is 1-tert-butyl-4-methylbenzene. With the CAS registry number 98-51-1, it is also named as 1-Methyl-4-(2-methyl-2-propanyl)benzene. The product's categories are Arenes; Building Blocks; Organic Building Blocks. Besides, it is a clear colorless liquid with an aromatic gasoline-like odor, which should be stored in a cool, ventilated place. It is commonly used as a solvent for resins, as a primary intermediate in chemical industry, etc.

Physical properties about 4-tert-Butyltoluene are: (1)ACD/LogP: 4.37; (2)ACD/LogD (pH 5.5): 4.37; (3)ACD/LogD (pH 7.4): 4.37; (4)ACD/BCF (pH 5.5): 1226.54; (5)ACD/BCF (pH 7.4): 1226.54; (6)ACD/KOC (pH 5.5): 5655.58; (7)ACD/KOC (pH 7.4): 5655.58; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.485; (10)Molar Refractivity: 49.46 cm³; (11)Molar Volume: 172.3 cm³; (12)Polarizability: 19.6×10^-24cm³; (13)Surface Tension: 26.9 dyne/cm; (14)Density: 0.859 g/cm³; (15)Flash Point: 54.4 °C; (16)Enthalpy of Vaporization: 41.21 kJ/mol; (17)Boiling Point: 193.5 °C at 760 mmHg; (18)Vapour Pressure: 0.646 mmHg at 25°C.

Preparation: this chemical can be prepared by methylbenzene and 2-chloro-2-methyl-propane. This reaction will need reagent BF₃, tert-butyl alcohol.

Uses of 4-tert-Butyltoluene: it can be used to produce 2-bromo-4-tert-butyl-1-methyl-benzene at temperature of 55 °C. It will need reagent Br₂ and solvent acetic acid with reaction time of 5 days. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and toxic by inhalation. In addition, it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.When you are using it, wear suitable gloves and eye/face protection and keep away from sources of ignition - No smoking. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C(C)(C)C)C
(2)InChI: InChI=1/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
(3)InChIKey: QCWXDVFBZVHKLV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
(5)Std. InChIKey: QCWXDVFBZVHKLV-UHFFFAOYSA-N

The toxicity data is as follows: