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Benzoic acid,3,5-bis(phenylmethoxy)-, methyl ester

  • Name Benzoic acid,3,5-bis(phenylmethoxy)-, methyl ester
  • EINECSN/A
  • CAS No. 58605-10-0
  • Density1.174 g/cm3
  • PSA44.76000
  • LogP4.63120
  • SolubilityN/A
  • Melting Point67 °C
  • FormulaC22H20O4
  • Boiling Point506.2 °C at 760 mmHg
  • Molecular Weight348.398
  • Flash Point221.6 °C
  • Transport InformationN/A
  • Appearancewhite powder or granules
  • Safety
  • Risk CodesR34
  • Molecular Structure
    Molecular Structure of 58605-10-0 (METHYL 3,5-DIBENZYLOXYBENZOATE)
  • Hazard SymbolsC
  • SynonymsC
  • Article Data47

Benzoic acid,3,5-bis(phenylmethoxy)-, methyl ester Specification

The Benzoic acid,3,5-bis(phenylmethoxy)-, methyl ester is an organic compound with the formula C22H20O4. The IUPAC name of this chemical is methyl 3,5-bis(phenylmethoxy)benzoate. With the CAS registry number 58605-10-0, it is also named as Methyl 3,5-dibenzyloxybenzoate.

Physical properties about Benzoic acid,3,5-bis(phenylmethoxy)-, methyl ester are: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.16; (4)ACD/LogD (pH 7.4): 5.16; (5)ACD/BCF (pH 5.5): 4918.91; (6)ACD/BCF (pH 7.4): 4918.91; (7)ACD/KOC (pH 5.5): 15283.85; (8)ACD/KOC (pH 7.4): 15283.85; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 44.76 Å2; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 100.35 cm3; (14)Molar Volume: 296.7 cm3; (15)Polarizability: 39.78×10-24cm3; (16)Surface Tension: 45.2 dyne/cm; (17)Density: 1.174 g/cm3; (18)Flash Point: 221.6 °C; (19)Enthalpy of Vaporization: 77.61 kJ/mol; (20)Boiling Point: 506.2 °C at 760 mmHg; (21)Vapour Pressure: 2.26E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by bromomethyl-benzene and 3,5-dihydroxy-benzoic acid methyl ester. This reaction will need reagent K2CO3 and solvent acetone. The reaction time is 12 hours by heating. The yield is about 96%.



Uses of Benzoic acid,3,5-bis(phenylmethoxy)-, methyl ester: it can be used to produce 3,5-bis(phenylmethoxy)benzoic acid. It will need reagent KOH and solvent ethanol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c3cc(OCc1ccccc1)cc(OCc2ccccc2)c3
(2)InChI: InChI=1/C22H20O4/c1-24-22(23)19-12-20(25-15-17-8-4-2-5-9-17)14-21(13-19)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
(3)InChIKey: GBQCMRLPXFXVIN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C22H20O4/c1-24-22(23)19-12-20(25-15-17-8-4-2-5-9-17)14-21(13-19)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
(5)Std. InChIKey: GBQCMRLPXFXVIN-UHFFFAOYSA-N

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