Benzoic acid,2-hydroxy-, 3,3,5-trimethylcyclohexyl ester (118-56-9)

The Homosalate with the CAS number 118-56-9 is also called Benzoic acid,2-hydroxy-, 3,3,5-trimethylcyclohexyl ester. The IUPAC name is (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate. Its molecular formula is C₁₆H₂₂O₃. The EINECS registry number is 204-260-8. The classification code is ultraviolet screen. This chemical viscous or light yellow to slightly tan liquid or oil.

The properties of the Homosalate are: (1)ACD/LogP: 5.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.82; (4)ACD/LogD (pH 7.4): 5.74; (5)ACD/BCF (pH 5.5): 15533.52; (6)ACD/BCF (pH 7.4): 12963.09; (7)ACD/KOC (pH 5.5): 34784.53; (8)ACD/KOC (pH 7.4): 29028.52; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 74.36 cm³; (15)Molar Volume: 237.2 cm³; (16)Polarizability: 29.47×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 60.79 kJ/mol; (19)Vapour Pressure: 4.17×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CC(CC(C1)(C)C)C)c2ccccc2O
(2)InChI: InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
(3)InChIKey: WSSJONWNBBTCMG-UHFFFAOYAJ