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56441-55-5

Basic Information
CAS No.: 56441-55-5
Name: Benzoic acid,4-(phenylmethoxy)-, ethyl ester
Article Data: 24
Cas Database
Molecular Structure:
Molecular Structure of 56441-55-5 (Benzoic acid,4-(phenylmethoxy)-, ethyl ester)
Formula: C16H16O3
Molecular Weight: 256.301
Synonyms: BRL 10894;Ethyl 4-benzyloxybenzoate;Ethyl p-benzyloxybenzoate;[4-(Ethoxycarbonyl)phenoxy]phenylmethane;Benzoicacid, p-(benzyloxy)-, ethyl ester (6CI,7CI);
EINECS: N/A
Density: 1.121 g/cm3
Melting Point: 42-44 ºC
Boiling Point: 385.6 ºC at 760 mmHg
Flash Point: 162.3 ºC
Solubility: N/A
Appearance: Solid
Hazard Symbols: Xi
Risk Codes: 41
Safety: 23-24/25
Transport Information: N/A
PSA: 35.53000
LogP: 3.44230
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Specification

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.

Benzoic acid,4-(phenylmethoxy)-, ethyl ester can be prepared by chloromethyl-benzene and 4-hydroxy-benzoic acid ethyl ester by heating

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%.

Benzoic acid,4-(phenylmethoxy)-, ethyl ester can be used to produce 4-benzyloxy-benzyl alcohol at the temperature of 0-20 °C

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