4-CYCLOHEXYLBENZOIC ACID

The Benzoic acid,4-cyclohexyl- is an organic compound with the formula C₁₃H₁₆O₂. The IUPAC name of this chemical is 4-Cyclohexylbenzoic acid. With the CAS registry number 20029-52-1, it is also named as 4-Cyclohexyl-benzoic acid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides and Salts. Besides, it should be stored in a cool, sealed, dry place.

Physical properties about Benzoic acid,4-cyclohexyl- are: (1)ACD/LogP: 4.41; (2)ACD/LogD (pH 5.5): 3.24; (3)ACD/LogD (pH 7.4): 1.62; (4)ACD/BCF (pH 5.5): 89.39; (5)ACD/BCF (pH 7.4): 2.14; (6)ACD/KOC (pH 5.5): 402.56; (7)ACD/KOC (pH 7.4): 9.62; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 59.04 cm³; (14)Molar Volume: 183.1 cm³; (15)Polarizability: 23.4×10^-24 cm³; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.115 g/cm³; (18)Flash Point: 163.9 °C; (19)Enthalpy of Vaporization: 62.87 kJ/mol; (20)Boiling Point: 351.1 °C at 760 mmHg; (21)Vapour Pressure: 1.56E-05 mmHg at 25 °C. 

Uses of Benzoic acid,4-cyclohexyl-: it can be used to produce 4-Cyclohexylbenzoic acid methyl ester at temperature of 5 - 20 °C. It will need reagent conc. H₂SO₄ with reaction time of 15 hours. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)C2CCCCC2
(2)InChI: InChI=1/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
(3)InChIKey: QCIWHVKGVVQHIY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
(5)Std. InChIKey: QCIWHVKGVVQHIY-UHFFFAOYSA-N