Reported in EPA TSCA Inventory.

The 1,3-Dimethyl-5-tert-butylbenzene, with the CAS registry number 98-19-1, is also known as 1,3-Dimethyl-5-(2-methyl-2-propanyl)benzene. Its EINECS registry number is 202-647-6. This chemical's molecular formula is C₁₂H₁₈ and molecular weight is 162.27. What's more, its IUPAC name is called 1-tert-Butyl-3,5-dimethylbenzene. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 1,3-Dimethyl-5-tert-butylbenzene are: (1)ACD/LogP: 5.246; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5714.44; (6)ACD/BCF (pH 7.4): 5714.44; (7)ACD/KOC (pH 5.5): 17015.06; (8)ACD/KOC (pH 7.4): 17015.06; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 54.29 cm³; (15)Molar Volume: 188.671 cm³; (16)Polarizability: 21.522×10^-24cm³; (17)Surface Tension: 27.132 dyne/cm; (18)Density: 0.86 g/cm³; (19)Flash Point: 71.759 °C; (20)Enthalpy of Vaporization: 42.606 kJ/mol; (21)Boiling Point: 207.931 °C at 760 mmHg; (22) Vapour Pressure: 0.316 mmHg at 25 °C.

Preparation of 1,3-Dimethyl-5-tert-butylbenzene: this chemical can be prepared by 2-Chloro-2-methyl-propane with 1,3-Dimethyl-benzene. The reaction occurs with catalyzer and other condition of heating for 20 min. The yield is 60 %.

Uses of 1,3-Dimethyl-5-tert-butylbenzene: (1) it is used as medicinal and aromatic intermediates; (2) it is used to produce other chemicals. For example, it can react with formaldehyde to get 4-tert-butyl-2,6-dimethyl-benzyl chloride. This reaction needs reagent hydrochloric acid and solvent H₂O at temperature of 80 °C. The reaction time is 48 hours. The yield is 46 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cc(cc1C(C)(C)C)C)C
(2) InChI: InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3
(3) InChIKey: FZSPYHREEHYLCB-UHFFFAOYSA-N

The toxicity data is as follows: