The Isocumene with CAS registry number of 103-65-1 is also known as Benzene,propyl-. The IUPAC name is Propylbenzene. It belongs to product categories of Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC). Its EINECS registry number is 203-132-9. In addition, the formula is C₉H₁₂ and the molecular weight is 120.21. This chemical is a colourless or light yellow liquid that slightly soluble in water and miscible with most organic solvents. It may cause damage to health and should be sealed in ventilated, cool place away from fire, heat. What's more, this chemical can be used as solvent and organic synthesis intermediate.

Physical properties about Isocumene are: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 410.4; (6)ACD/BCF (pH 7.4): 410.4; (7)ACD/KOC (pH 5.5): 2583.08; (8)ACD/KOC (pH 7.4): 2583.08; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.494; (11)Molar Refractivity: 40.43 cm³; (12)Molar Volume: 138.7 cm³; (13)Surface Tension: 29.6 dyne/cm; (14)Density: 0.866 g/cm³; (15)Flash Point: 42.1 °C; (16)Enthalpy of Vaporization: 38.08 kJ/mol; (17)Boiling Point: 160.5 °C at 760 mmHg; (18)Vapour Pressure: 3.09 mmHg at 25 °C.

Preparation of Isocumene: it is prepared by reaction of N-methoxy-2-phenyl-butyramide. The reaction needs reagents Li, 4,4'-di-tert-butylbiphenyl and solvent tetrahydrofuran with other condition of heating for 2 hours. The yield is about 60%.

Uses of Isocumene: it is used to produce benzoic acid. The reaction occurs with reagent O₂ and solvent CHCl₃ with other condition of irradiation for 12 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to respiratory system and flammable. It may cause lung damage if swallowed and is toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. During using it, wear suitable gloves and avoid contact with skin. Avoid release to the environment. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCC1=CC=CC=C1
2. InChI: InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
3. InChIKey: ODLMAHJVESYWTB-UHFFFAOYSA-N

The toxicity data is as follows: