2-Benzylphenol acetate

Base Information

• Chemical Name: 2-Benzylphenol acetate
• CAS No.: 40232-99-3
• Molecular Formula: C17H16O4
• Molecular Weight: 284.31
• DSSTox Substance ID: DTXSID50485484
• Nikkaji Number: J3.477.647D
• Wikidata: Q82324707
• Mol file: 40232-99-3.mol

Synonyms:2-BENZYLPHENOL ACETATE;(2-benzylphenyl) acetate;40232-99-3;2acetoxyphenylbenzyl;2-benzylphenyl acetate;33441-99-5;SCHEMBL531084;DTXSID50485484

Chemical Property of 2-Benzylphenol acetate

Chemical Property:

• Melting Point: 66 - 68 °C
• Boiling Point: 409.7±38.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.164±0.06 g/cm3(Predicted)
• LogP: 3.12800
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1CC2=CC=CC=C2

Technology Process of 2-Benzylphenol acetate

There total 3 articles about 2-Benzylphenol acetate 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: 26.0%

bis(4-hydroxyphenyl)methanol (69552-26-7) + acetic anhydride (108-24-7) → bis(4-acetoxyphenyl)methane (40232-99-3)

Guidance literature:

In pyridine; for 15h; Ambient temperature;

DOI:10.1246/bcsj.62.674

Reference yield:

bis-(4-hydroxyphenyl)methane (620-92-8) + acetyl chloride (75-36-5) → bis(4-acetoxyphenyl)methane (40232-99-3)

Guidance literature:

Reference yield:

→ bis(4-acetoxyphenyl)methane (40232-99-3)

Guidance literature:

4,4'-Dihydroxy-diphenyl-methan, Acetanhydrid, Py.;

DOI:10.1021/ac60227a019

upstream raw materials:

bis-(4-hydroxyphenyl)methane

acetyl chloride

bis(4-hydroxyphenyl)methanol

acetic anhydride

Downstream raw materials:

1--5-fluorouracil

5,5'-methylene-bis(2-hydroxyacetophenone)

bis(4-acetoxyphenyl)methyl bromide

4,4'-diacetoxy-benzophenone

Refernces