PHLOROGLUCINOL TRIACETATE

The 1,3,5-Benzenetriol,1,3,5-triacetate, with the CAS registry number 2999-40-8, is also known as Phloroglucinol triacetate. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C₁₂H₁₂O₆ and molecular weight is 252.22. What's more, its systematic name is Benzene-1,3,5-triyl triacetate. 

Physical properties of 1,3,5-Benzenetriol,1,3,5-triacetate are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.63; (8)ACD/KOC (pH 7.4): 31.63; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 60.27 cm³; (15)Molar Volume: 202.3 cm³; (16)Polarizability: 23.89×10^-24cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.246 g/cm³; (19)Flash Point: 153.4 °C; (20)Enthalpy of Vaporization: 59.31 kJ/mol; (21)Boiling Point: 348.7 °C at 760 mmHg; (22)Vapour Pressure: 4.93E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride and benzene-1,3,5-triol at the temperature of 62 °C. This reaction will need solvent CHCl₃ with the reaction time of 4.5 hours. This reaction will also need catalyst montmorillonite KSF. The yield is about 83%.

Uses of 1,3,5-Benzenetriol,1,3,5-triacetate: it can be used to produce 1,3,5-tris-benzyloxy-benzene at the ambient temperature. It will need reagents NaH, H₂O and solvent dimethylformamide with the reaction time of 2 hours. The yield is about 97%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC1=CC(=CC(=C1)OC(=O)C)OC(=O)C
(2)InChI: InChI=1S/C12H12O6/c1-7(13)16-10-4-11(17-8(2)14)6-12(5-10)18-9(3)15/h4-6H,1-3H3
(3)InChIKey: CLWKAMVDWLTMKD-UHFFFAOYSA-N