4-Ethylphenyl acetate

Base Information

• Chemical Name: 4-Ethylphenyl acetate
• CAS No.: 3245-23-6
• Deprecated CAS: 746657-65-8
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2915390090
• European Community (EC) Number: 221-818-6
• NSC Number: 6705
• UNII: 3F8A85YM2Z
• DSSTox Substance ID: DTXSID40863131
• Nikkaji Number: J262.350A
• Wikidata: Q82854428
• ChEMBL ID: CHEMBL509166
• Mol file: 3245-23-6.mol

Synonyms:4-Ethylphenyl acetate;3245-23-6;Acetic Acid 4-Ethylphenyl Ester;(4-ethylphenyl) acetate;p-Ethylphenyl acetate;Phenol, 4-ethyl-, acetate;Phenol, 4-ethyl-, 1-acetate;3F8A85YM2Z;NSC 6705;NSC-6705;EINECS 221-818-6;AI3-20014;1-Acetoxy-4-ethylbenzene;UNII-3F8A85YM2Z;SCHEMBL68678;CHEMBL509166;Acetic acid,4-ethylphenyl ester;ANMYMLIUCWWISO-UHFFFAOYSA-;DTXSID40863131;NSC6705;PHENOL, P-ETHYL-, ACETATE;MFCD00026970;AKOS015888336;AS-57552;CS-0152509;FT-0634743;D88417

Chemical Property of 4-Ethylphenyl acetate

Chemical Property:

• Vapor Pressure: 0.0551mmHg at 25°C
• Refractive Index: 1.4980-1.5000
• Boiling Point: 233.7°Cat760mmHg
• Flash Point: 91.1°C
• PSA: 26.30000
• Density: 1.027g/cm³
• LogP: 2.17430
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

98% ^*data from raw suppliers

4-Ethylphenyl Acetate >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)OC(=O)C

Technology Process of 4-Ethylphenyl acetate

There total 13 articles about 4-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: 99.0%

p-acetoxystyrene (2628-16-2) → p-ethylphenyl acetate (3245-23-6,746657-65-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; at 20 ℃; for 18h; Sealed tube;

DOI:10.1002/anie.201709685

Reference yield: 95.0%

4-EtC6H4OTMS (17993-90-7) + acetic anhydride (108-24-7) → p-ethylphenyl acetate (3245-23-6,746657-65-8)

Guidance literature:

With montmorillonite K-10; for 0.33h;

Reference yield: 95.0%

→ p-ethylphenyl acetate (3245-23-6,746657-65-8)

Guidance literature:

With aluminum (III) chloride; In methanol; water; ethyl acetate; at 20 ℃; for 4h; Inert atmosphere; Irradiation;

upstream raw materials:

4-Ethylphenol

acetic anhydride

4-ethylacetophenone

acetyl chloride

Downstream raw materials:

6-ethyl-4'-hydroxyflavone

C₁₀H₁₁⁽¹⁸⁾FO₂

3-bromo-N′-((6-ethyl-4-oxo-4H-chromen-3-yl)methylene)benzohydrazide

Refernces

• 1、 Gallou, Fabrice,Gao, Eugene S.,Lipshutz, Bruce H.,Takale, Balaram S.,Thakore, Ruchita R.. "Environmentally responsible, safe, and chemoselective catalytic hydrogenation of olefins: ppm level Pd catalysis in recyclable water at room temperature". supporting information. p. 6055 - 6061. Retrieved 2020/10/14.
• 2、 Liu, Shuai,Achou, Rapha?l,Boulanger, Coline,Pawar, Govind,Kumar, Nivesh,Lusseau, Jonathan,Robert, Frédéric,Landais, Yannick. "Copper-catalyzed oxidative benzylic C(sp3)-H amination: Direct synthesis of benzylic carbamates". supporting information. p. 13013 - 13016. Retrieved 2020/11/05.