4-Isopropylanisole

The Benzene,1-methoxy-4-(1-methylethyl)-, with the CAS registry number 4132-48-3, is also known as 4-Isopropylanisole. It belongs to the product categories of Aromatic Ethers; Anisoles, Alkyloxy Compounds & Phenylacetates. Its EINECS number is 223-952-0. This chemical's molecular formula is C₁₀H₁₄O and formula weight is 150.22. What's more, its IUPAC name is 1-methyl-2-phenylsulfanylbenzene. 

Physical properties of Benzene,1-methoxy-4-(1-methylethyl)- are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 256.5; (4)ACD/KOC (pH 5.5): 1845.12; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 9.23 Å²; (9)Index of Refraction: 1.488; (10)Molar Refractivity: 47.11 cm³; (11)Molar Volume: 163.5 cm³; (12)Surface Tension: 28.8 dyne/cm; (13)Density: 0.918 g/cm³; (14)Flash Point: 77.3 °C; (15)Enthalpy of Vaporization: 42.21 kJ/mol; (16)Boiling Point: 203.9 °C at 760 mmHg; (17)Vapour Pressure: 0.388 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-(4-methoxy-phenyl)-2-oxo-protonic acid, iodomethane at the ambient temperature. This reaction will need reagent KOH and solvent dimethylsulfide with the reaction time of 5 hours. The yield is about 90%.

Uses of Benzene,1-methoxy-4-(1-methylethyl)-: it can be used to produce 4-isopropyl-1-methoxy-2-thiocyanato-benzene at the ambient temperature. It will need reagent phenyliodine(III)bis(trifluoroacetate) and various solvent(s) with the reaction time of 30 min. The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1SC2=CC=CC=C2
(2)InChI: InChI=1S/C13H12S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10H,1H3
(3)InChIKey: KXCVWFIROSGRRF-UHFFFAOYSA-N