4-Butylcyclohexane carboxylic acid

The 4-Butylcyclohexane carboxylic acid, with cas registry number of 71101-89-8, has the systematic name of 4-butylcyclohexanecarboxylic acid. It belongs to the following product categories: 4-Alkylcyclohexanecarboxylic Acids (Building Blocks for Liquid Crystals); 4-Substituted Cyclohexanecarboxylic Acids; Building Blocks for Liquid Crystals; Functional Materials. And the molecular formula of the chemical is C₁₁H₂₀O₂.

The characteristics of 4-Butylcyclohexane carboxylic acid are as followings: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 128.49; (6)ACD/BCF (pH 7.4): 2.25; (7)ACD/KOC (pH 5.5): 762.15; (8)ACD/KOC (pH 7.4): 13.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 52.37 cm³; (15)Molar Volume: 189.2 cm³; (16)Polarizability: 20.76×10^-24cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 0.973 g/cm³; (19)Flash Point: 138.6 °C; (20)Enthalpy of Vaporization: 57.97 kJ/mol; (21)Boiling Point: 287.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000623 mmHg at 25°C. 

Uses of 4-Butylcyclohexane carboxylic acid: It can react with acetic acid to produce n-butylcyclohexyl methyl ketone. This reaction will need catalyst MnO, and the menstruum methanol. The reaction temperature of 400-410°C, and the yield is about 46%.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C1CCC(CCCC)CC1
(2)InChI: InChI=1/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
(3)InChIKey: BALGERHMIXFENA-UHFFFAOYAA