p-methylbenzyl benzoate

Base Information

• Chemical Name: p-methylbenzyl benzoate
• CAS No.: 38418-10-9
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• Hs Code.: 2916310090
• European Community (EC) Number: 253-921-7
• NSC Number: 155816
• DSSTox Substance ID: DTXSID40885717
• Nikkaji Number: J294.655F
• Wikidata: Q63395411
• ChEMBL ID: CHEMBL498646
• Mol file: 38418-10-9.mol

Synonyms:4-Methylbenzyl benzoate;benzoic acid-(4-methyl-benzyl ester);4-Methylbenzylbenzoat;Benzenemethanol,benzoate;Benzenemethanol,4-methyl-,benzoate;Benzoesaeure-<4-methyl-benzylester>;p-methylbenzyl benzoate;

Chemical Property of p-methylbenzyl benzoate

Chemical Property:

• Vapor Pressure: 8.05E-05mmHg at 25°C
• Boiling Point: 341.4°C at 760 mmHg
• Flash Point: 152.5°C
• PSA: 26.30000
• Density: 1.107g/cm³
• LogP: 3.35200
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2

Technology Process of p-methylbenzyl benzoate

There total 35 articles about p-methylbenzyl benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

4-Methylbenzyl bromide (104-81-4) + benzoic acid (65-85-0,8013-63-6) → 4-methylbenzyl benzoate (38418-10-9)

Guidance literature:

With copper(l) iodide; caesium carbonate; acetonitrile; at 60 ℃; for 24h;

DOI:10.1007/s10562-015-1690-5

Reference yield: 99.0%

para-xylene (106-42-3) + benzoic acid (65-85-0,8013-63-6) → 4-methylbenzyl benzoate (38418-10-9)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In water; at 80 ℃; for 3h;

DOI:10.1002/adsc.201100920

Reference yield: 99.0%

4-Methylbenzyl alcohol (589-18-4) → 4-methylbenzyl benzoate (38418-10-9)

Guidance literature:

With potassium hydroxide; benzoic acid;

upstream raw materials:

sodium benzoate

4-Methylbenzyl chloride

N-(acetyloxy)-N-(((4-methylphenyl)methyl)oxy)benzamide

4-Methylbenzyl alcohol

Downstream raw materials:

benzyl alcohol

benzoic acid benzyl ester

4-methylbenzoic acid benzyl ester

4-methylbenzyl 4-methylbenzoate

Refernces

• 1、 Hahnvajanawong, Viwat,Phungpis, Baramee. "N-Aroylbenzotriazoles as Efficient Reagents for o-Aroylation in Absence of Organic Solvent". . p. 2671 - 2674. Retrieved 2021/10/25.
• 2、 Karthik, Shanmugam,Muthuvel, Karthick,Gandhi, Thirumanavelan. "Base-Promoted Amidation and Esterification of Imidazolium Salts via Acyl C-C bond Cleavage: Access to Aromatic Amides and Esters". . p. 738 - 751. Retrieved 2019/01/24.