4-Acetylphenyl acetate

Base Information

• Chemical Name: 4-Acetylphenyl acetate
• CAS No.: 13031-43-1
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 29145090
• European Community (EC) Number: 235-894-3
• NSC Number: 41974
• UNII: EO1XK390JF
• DSSTox Substance ID: DTXSID9044534
• Nikkaji Number: J270.068I
• Wikidata: Q27159244
• Metabolomics Workbench ID: 67952
• ChEMBL ID: CHEMBL2271145
• Mol file: 13031-43-1.mol

Synonyms:4-Acetylphenyl acetate;13031-43-1;4'-Acetoxyacetophenone;4-Acetoxyacetophenone;p-Acetylphenyl acetate;p-Acetoxyacetophenone;(4-acetylphenyl) acetate;Ethanone, 1-[4-(acetyloxy)phenyl]-;4-acetoxy acetophenone;Ethanone, 1-(4-(acetyloxy)phenyl)-;4-acetoxy-acetophenone;UNII-EO1XK390JF;EO1XK390JF;DTXSID9044534;CHEBI:86558;EINECS 235-894-3;NSC 41974;NSC-41974;AI3-10544;4'-acetoxy-acetophenone;bmse010101;(4-ethanoylphenyl) ethanoate;SCHEMBL1142839;4-(ACETATE)ACETOPHENONE;CHEMBL2271145;DTXCID7024534;4-CH3COO-C6H4-COCH3;1-[4-(Acetyloxy)phenyl]ethanone;acetic acid (4-acetylphenyl) ester;NSC41974;Tox21_302228;BBL011990;MFCD00017229;STL163474;AKOS000268633;AM84255;NCGC00256000-01;ACETOPHENONE, 4'-HYDROXY-, ACETATE;CAS-13031-43-1;CS-0065541;FT-0617388;D88059;EN300-331508;A806065;J-005787;Q27159244;Z28188387

Chemical Property of 4-Acetylphenyl acetate

Chemical Property:

• Appearance/Colour: Light beige crystalline powder
• Vapor Pressure: 0.00207mmHg at 25°C
• Melting Point: 51-55 °C
• Refractive Index: 1.512
• Boiling Point: 290.462 °C at 760 mmHg
• Flash Point: 126.545 °C
• PSA: 43.37000
• Density: 1.123 g/cm³
• LogP: 1.81450
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Slightly soluble in water(4450 mg/L).
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

98% ^*data from raw suppliers

4'-Acetoxyacetophenone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)OC(=O)C
• Uses: 4'-Acetoxyacetophenone it can react with ethane-1,2-diol to get 2-(4-acetoxyphenyl)-2-methyl-1,3-dioxolane with yield is 67 %.

Technology Process of 4-Acetylphenyl acetate

There total 52 articles about 4-Acetylphenyl 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: 98.0%

vinyl acetate (108-05-4,9003-20-7) + 4-Hydroxyacetophenone (99-93-4) → 4-acetyloxyacetophenone (13031-43-1)

Guidance literature:

With sodium carbonate; In acetonitrile; at 120 ℃; for 24h; Schlenk technique;

DOI:10.1055/s-0037-1610265

Reference yield: 95.0%

p-acetoxystyrene (2628-16-2) → 4-acetyloxyacetophenone (13031-43-1)

Guidance literature:

With perchloric acid; oxygen; palladium diacetate; p-benzoquinone; sodium nitrite; In methanol; water; at 20 ℃; for 5h; Schlenk technique; Sealed tube; Green chemistry;

DOI:10.1039/c3ob40277k

Reference yield: 94.0%

acetic acid 4-(2-methyl-[1,3]dithian-2-yl)-phenyl ester → 4-acetyloxyacetophenone (13031-43-1)

Guidance literature:

With dihydrogen peroxide; tantalum pentachloride; sodium iodide; In water; ethyl acetate; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2005.06.170

upstream raw materials:

p-ethylphenyl acetate

acetic anhydride

4-Hydroxyacetophenone

phenol

Downstream raw materials:

benzene-1,4-diyl diacetate

3-(4-Acetoxyphenyl)-3-hydroxy-1-phenyl-butanon-⁽¹⁾

Acetic acid 4-(1-trimethylsilanyloxy-vinyl)-phenyl ester

4-acetylphenoxide

Refernces

• 1、 Gardner. "-". . p. 4674. Retrieved 1955.
• 2、 -. "Method for oxidative cracking of compound containing unsaturated double bonds". Paragraph 0108-0114; 0152-0154. . Retrieved 2021/07/09.
• 3、 -. "Synthesis method of p-acetoxystyrene". Paragraph 0033-0034. . Retrieved 2021/04/26.