The Cholesteryl benzoate with CAS registry number of 604-32-0 is also called Cholest-5-en-3-ol (3b)-,3-benzoate. The IUPAC name is[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate. Its EINECS registry number is 210-064-3. In addition, the molecular formula is C₃₄H₅₀O₂ and the molecular weight is 490.76. It is a kind of white solid and belongs to the classes of Cholesteryl Compounds (Liquid Crystals); Functional Materials; Liquid Crystals; Related Compounds; Intermediates; Fine Chemicals; Pharmaceuticals; Steroids; Chiral Building Blocks; Complex Molecules.

Physical properties about this chemical are: (1)ACD/LogP: 12.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.68; (4)ACD/LogD (pH 7.4): 12.68; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 149.64 cm³; (15)Molar Volume: 471.5 cm³; (16)Polarizability: 59.32×10^-24cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 213.1 °C; (20)Enthalpy of Vaporization: 84.69 kJ/mol; (21)Boiling Point: 563.6 °C at 760 mmHg; (22)Vapour Pressure: 1E-12 mmHg at 25°C.

Preparation of Cholesteryl benzoate: it can be prepared by benzoic acid-[4]pyridyl ester and cholest-5-en-3b-ol. This reaction will need solvent CH₂Cl₂. The reaction time is 5 hours at reaction temperature of 40 °C. The yield is about 89%.

Uses of Cholesteryl benzoate: it can be used as intermediate of vitamin D3, and can be used in some hair colors, make-ups, and some other cosmetic preparations. Moreover, it can be used with cholesteryl nonanoate and cholesteryl oleyl carbonate in some thermochromic liquid crystals. In addition, it can be used to get 3b-benzoyloxy-cholest-5-en-7-one. This reaction will need reagent 3,5-dimethylpyrazolium fluorochromate and solvent acetonitrile. The reaction time is 10 hours by heating. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes. In addition, you should not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H]4C/C3=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)C)[C@@]3(C)CC4)c5ccccc5
(2)InChI: InChI=1/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,33+,34-/m1/s1
(3)InChIKey: UVZUFUGNHDDLRQ-LLHZKFLPBM