Isopropoxybenzene

Base Information

• Chemical Name: Isopropoxybenzene
• CAS No.: 2741-16-4
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 2909309090
• European Community (EC) Number: 220-370-9
• DSSTox Substance ID: DTXSID10181834
• Nikkaji Number: J43.438H
• Wikidata: Q83052457
• Mol file: 2741-16-4.mol

Synonyms:iso-propoxybenzene;isopropoxybenzene;isopropyl phenyl ether

Chemical Property of Isopropoxybenzene

Chemical Property:

• Vapor Pressure: 1.31mmHg at 25°C
• Melting Point: -33°C
• Refractive Index: 1.486
• Boiling Point: 178.9 °C at 760 mmHg
• Flash Point: 61.9 °C
• PSA: 9.23000
• Density: 0.927 g/cm³
• LogP: 2.47380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 82.7

Purity/Quality:

97% ^*data from raw suppliers

Isopropoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=CC=C1

Technology Process of Isopropoxybenzene

There total 73 articles about Isopropoxybenzene 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: 93.0%

isopropyl alcohol (67-63-0,8013-70-5) + phenol (108-95-2,27073-41-2) → isopropoxybenzene (2741-16-4)

Guidance literature:

With di-isopropyl azodicarboxylate; dendric phosphine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2005.09.021

Reference yield: 87.0%

iodobenzene (591-50-4) + isopropyl alcohol (67-63-0,8013-70-5) → isopropoxybenzene (2741-16-4)

Guidance literature:

With Pd(tris[2-(diphenylphosphino)ethyl]phosphine tetrasulfide)(dibenzylideneacetone); caesium carbonate; In isopropyl alcohol; at 80 ℃; for 6.5h;

DOI:10.1016/j.jorganchem.2014.11.018

Reference yield: 64.0%

aluminium isopropoxide + (-)-menthol (2216-51-5) + phenol (108-95-2,27073-41-2) → 2-(1-methylethyl)phenol (88-69-7) + 4-Isopropylphenol (99-89-8) + isopropoxybenzene (2741-16-4) + 3-isopropylhydroxybenzene (618-45-1)

Guidance literature:

at 120 ℃; for 15h;

DOI:10.1007/s10600-008-9085-0

upstream raw materials:

2-iodo-propane

sodium phenoxide

diisopropyl sulfate

isopropyl chloride

Downstream raw materials:

1-(Chloromethyl)-4-(1-methylethoxy)benzene

4-phenoxy-1-isopropylbenzene

1-isopropyl-2-phenoxybenzene

2-(1-methylethyl)phenol