ETHYL 4-(BENZYLOXY)BENZOATE

The Benzoic acid,4-(phenylmethoxy)-, ethyl ester, with the CAS registry number 56441-55-5, is also known as Ethyl p-benzyloxybenzoate. This chemical's molecular formula is C₁₆H₁₆O₃ and molecular weight is 256.3. What's more, its systematic name is ethyl 4-(benzyloxy)benzoate and it belongs to the product category of Aromatic Esters. The product should be sealed and stored in containers which are placed in cool and dry places. It should be ensured that the workshop is well ventilated or equipped with exhaust device. In addition, when using it, you can't breathe gas/fumes/vapour/spray and you need avoid contact with skin and eyes.

Physical properties of Benzoic acid,4-(phenylmethoxy)-, ethyl ester are: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.46; (4)ACD/LogD (pH 7.4): 4.46; (5)ACD/BCF (pH 5.5): 1435.84; (6)ACD/BCF (pH 7.4): 1435.84; (7)ACD/KOC (pH 5.5): 6330.75; (8)ACD/KOC (pH 7.4): 6330.75; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 73.82 cm³; (15)Molar Volume: 228.5 cm³; (16)Polarizability: 29.26×10^-24 cm³; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.121 g/cm³; (19)Flash Point: 162.3 °C; (20)Enthalpy of Vaporization: 63.45 kJ/mol; (21)Boiling Point: 385.6 °C at 760 mmHg; (22)Vapour Pressure: 3.76E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by chloromethyl-benzene and 4-hydroxy-benzoic acid ethyl ester by heating. This reaction will need reagent K₂CO₃ and solvent butan-2-one.

Uses of Benzoic acid,4-(phenylmethoxy)-, ethyl ester: it can be used to produce 4-benzyloxy-benzyl alcohol at the temperature of 0-20 °C. It will need reagent LAH and solvent diethyl ether with the reaction time of 2 hours. The yield is about 100%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C16H16O3/c1-2-18-16(17)14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
(3)InChIKey: UMOKJIWMQFEFJE-UHFFFAOYSA-N