2-Ethylphenyl Acetate

Base Information

• Chemical Name: 2-Ethylphenyl Acetate
• CAS No.: 3056-59-5
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID40875991
• Nikkaji Number: J1.582.446H
• Wikidata: Q82857488
• Mol file: 3056-59-5.mol

Synonyms:2-Ethylphenyl Acetate;3056-59-5;Acetic Acid 2-Ethylphenyl Ester;(2-ethylphenyl) Acetate;Ethanoic acid, 2-ethylphenyl ester;Phenol, 2-ethyl-, 1-acetate;2-Ethylphenol, O-acetyl-;SCHEMBL68677;Acetic acid,2-ethylphenyl ester;DTXSID40875991;VERVERDPMMBDSS-UHFFFAOYSA-N;MFCD02093429;AS-59107;CS-0450760;FT-0634623;D88449;A820438

Chemical Property of 2-Ethylphenyl Acetate

Chemical Property:

• Vapor Pressure: 0.043mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 238.021°C at 760 mmHg
• Flash Point: 92.226°C
• PSA: 26.30000
• Density: 1.03
• LogP: 2.17430
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

98%,99%, ^*data from raw suppliers

AceticAcid2-EthylphenylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1OC(=O)C

Technology Process of 2-Ethylphenyl Acetate

There total 4 articles about 2-Ethylphenyl 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: 95.0%

o-Hydroxyethylbenzene (90-00-6) + acetyl chloride (75-36-5) → acetate d'ethyl-2 phenyl (3056-59-5)

Guidance literature:

at 110 ℃; for 1h;

DOI:10.1016/S0040-4020(01)92357-9

Reference yield: 80.0%

o-Hydroxyethylbenzene (90-00-6) + acetic anhydride (108-24-7) → acetate d'ethyl-2 phenyl (3056-59-5)

Guidance literature:

With polyvinylpolypyrrolidone-bound boron trifluoride; In acetonitrile; at 20 ℃; for 1.5h;

DOI:10.1016/j.crci.2012.01.011

Reference yield:

[bis(acetoxy)iodo]benzene (3240-34-4) + ethylbenzene (100-41-4,27536-89-6) → p-ethylphenyl acetate (3245-23-6,746657-65-8) + 3-acetoxy-1-ethylbenzene (3056-60-8) + acetate d'ethyl-2 phenyl (3056-59-5)

Guidance literature:

With C₁₆H₁₈I₂N₄OPd; acetic anhydride; acetic acid; at 95 ℃; for 24h; Reagent/catalyst; Overall yield = 46 %Chromat.; Sealed tube;

DOI:10.1021/om501163m

upstream raw materials:

o-Hydroxyethylbenzene

acetic anhydride

acetyl chloride

[bis(acetoxy)iodo]benzene

Downstream raw materials:

1-(3-ethyl-4-hydroxy-phenyl)-ethanone

1-(3-ethyl-2-hydroxy-phenyl)-ethanone

diphenyl(pyridin-4-yl)methanol

1-(4-Decyloxy-3-ethyl-phenyl)-ethanone

Refernces

• 1、 Desai, Sai Puneet,Mondal, Moumita,Choudhury, Joyanta. "Chelating Bis-N-heterocyclic Carbene-Palladium(II) Complexes for Oxidative Arene C-H Functionalization". . p. 2731 - 2736. Retrieved 2015/06/30.
• 2、 Hercouet,Le Corre. "-". . p. 2867 - 2873. Retrieved 2007/10/02.