4-Isopropylbenzyl acetate

Base Information

• Chemical Name: 4-Isopropylbenzyl acetate
• CAS No.: 59230-57-8
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• European Community (EC) Number: 261-671-5
• DSSTox Substance ID: DTXSID0052259
• Nikkaji Number: J60.247G
• Wikidata: Q63398877
• Mol file: 59230-57-8.mol

Synonyms:p-isopropylbenzyl acetate

Chemical Property of 4-Isopropylbenzyl acetate

Chemical Property:

• Vapor Pressure: 0.0179mmHg at 25°C
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 253.8°C at 760 mmHg
• Flash Point: 98.8°C
• PSA: 26.30000
• Density: 0.999g/cm³
• LogP: 2.87310
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

4-ISOPROPYLBENZYL ACETATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Isopropylbenzyl acetate

There total 13 articles about 4-Isopropylbenzyl 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: 97.0%

acetic anhydride (108-24-7) + cuminol (536-60-7) → 4-(i-propyl)benzyl acetate (59230-57-8)

Guidance literature:

With decamolybdodivanadogermanic acid nanoparticles; at 24.84 ℃; for 0.0583333h; Neat (no solvent);

DOI:10.1590/S0103-50532011000700018

Reference yield: 95.0%

cuminol (536-60-7) → 4-(i-propyl)benzyl acetate (59230-57-8)

Guidance literature:

With phenyl-trimethyl-ammonium perbromide; In acetone; at 20 ℃; for 0.833333h;

DOI:10.1134/S1070428013120026

Reference yield: 93.0%

acetic anhydride (108-24-7) + cuminol (536-60-7) → 4-(i-propyl)benzyl acetate (59230-57-8) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With 3-((3-(trisilyloxy)propyl)propionamide)-1-methylimidazolium chloride ionic liquid supported on magnetic nanoparticle Fe₂O₃; at 20 ℃; for 0.416667h;

DOI:10.1016/j.jmmm.2015.10.044

upstream raw materials:

acetic anhydride

cuminol

acetyl chloride

4-methylisopropylbenzene

Downstream raw materials:

4-i-propylbenzyl bromide

4,4'-(oxybis(methylene))bis(isopropylbenzene)

cuminol

Refernces

• 1、 Ghorbani-Choghamarani, Arash,Norouzi, Masoomeh. "Synthesis and characterization of ionic liquid immobilized on magnetic nanoparticles: A recyclable heterogeneous organocatalyst for the acetylation of alcohols". . p. 832 - 840. Retrieved 2015/11/16.
• 2、 Shirini, Farhad,Akbari-Dadamahaleh, Somayeh,Mohammad-Khah, Ali,Aliakbar, Ali-Reza. "Rice husk: Introduction of a green, cheap and reusable catalyst for the protection of alcohols, phenols, amines and thiols". . p. 164 - 170. Retrieved 2014/03/21.