Tetrahydrofurfuryl benzoate

This chemical is called Tetrahydrofurfuryl benzoate, and it can also be named as 2-Furanmethanol, tetrahydro-, benzoate. With the molecular formula of C₁₂H₁₄O₃, its molecular weight is 206.24. The CAS registry number of this chemical is 2217-32-5.

Other characteristics of the Tetrahydrofurfuryl benzoate can be summarised as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.78; (6)ACD/BCF (pH 7.4): 27.78; (7)ACD/KOC (pH 5.5): 375.92; (8)ACD/KOC (pH 7.4): 375.92; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 56.09 cm³; (15)Molar Volume: 183.1 cm³; (16)Polarizability: 22.23×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.126 g/cm³; (19)Flash Point: 125.8 °C; (20)Enthalpy of Vaporization: 54.9 kJ/mol; (21)Boiling Point: 308.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000684 mmHg at 25°C.

Production method of this chemical: The Tetrahydrofurfuryl benzoate could be obtained by the reactant of 3-(2-phenyl-[1,3]dioxolan-4-yl)-propan-1-ol. This reaction needs the reagent of N-bromosuccinimide, and the solvent of CHCl₃. The yield is 65 %. In addition, this reaction should be taken at the ambient temperature.

 

Uses of this chemical: The benzoic acid 2-hydroxy-5-iodo-pentyl ester could be obtained by the reactant of Tetrahydrofurfuryl benzoate. This reaction needs the reagents of AlCl₃, NaI, and the solvent of acetonitrile. The yield is 95 %. This reaction should be taken for 4 hours at the ambient temperature.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OCC1OCCC1)c2ccccc2
2.InChI: InChI=1/C12H14O3/c13-12(10-5-2-1-3-6-10)15-9-11-7-4-8-14-11/h1-3,5-6,11H,4,7-9H2
3.InChIKey: ZXVLLZARPGZABO-UHFFFAOYAH