BENZOYLOXYPROPYLTRIMETHOXYSILANE

The 1-Propanol,3-(trimethoxysilyl)-, 1-benzoate, with the CAS registry number 76241-02-6, has the systematic nane of 1-(trimethoxysilyl)propyl benzoate. It is also called Benzoyloxypropyltrimethoxysilane. And the molecular formula of the chemical is C₁₃H₂₀O₅Si.

The characteristics of 1-Propanol,3-(trimethoxysilyl)-, 1-benzoate are as followings: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 142; (6)ACD/BCF (pH 7.4): 142; (7)ACD/KOC (pH 5.5): 1208; (8)ACD/KOC (pH 7.4): 1208; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 75.102 cm³; (15)Molar Volume: 265.06 cm³; (16)Polarizability: 29.773×10^-24cm³; (17)Surface Tension: 31.229 dyne/cm; (18)Density: 1.073 g/cm³; (19)Flash Point: 117.72 °C; (20)Enthalpy of Vaporization: 55.138 kJ/mol; (21)Boiling Point: 310.54 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Uses of 1-Propanol,3-(trimethoxysilyl)-, 1-benzoate: It can react with benzoic acid; potassium salt to produce (3-benzoyloxypropyl)trimethoxysilane. This reaction will need reagent dimethylformamide. The reaction time is 20 minutes with heating, and the yield is about 58.9%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(CC)[Si](OC)(OC)OC)c1ccccc1
(2)InChI: InChI=1/C13H20O5Si/c1-5-12(19(15-2,16-3)17-4)18-13(14)11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3
(3)InChIKey: WYJVEGLFLGQAHF-UHFFFAOYAA