1-Methyl-4-phenoxybenzene

Base Information

• Chemical Name: 1-Methyl-4-phenoxybenzene
• CAS No.: 1706-12-3
• Molecular Formula: C13H12 O
• Molecular Weight: 184.238
• Hs Code.: 2909309090
• European Community (EC) Number: 216-944-3
• NSC Number: 83594
• UNII: RB3VA23S6D
• DSSTox Substance ID: DTXSID3061891
• Nikkaji Number: J59.954I
• Wikidata: Q81989737
• Mol file: 1706-12-3.mol

Synonyms:1-Methyl-4-phenoxybenzene;1706-12-3;1-Methyl-4-phenoxy-benzene;p-Phenoxytoluene;p-Tolyl phenyl ether;4-Methyldiphenyl ether;Benzene, 1-methyl-4-phenoxy-;Phenyl p-tolyl ether;Ether, phenyl p-tolyl;4-Methylphenyl phenyl ether;p-Cresol phenyl ether;p-Methylphenyl phenyl ether;NSC 83594;RB3VA23S6D;EINECS 216-944-3;NSC-83594;MFCD00043948;UNII-RB3VA23S6D;SCHEMBL12355;p-MethyldiphenylA currencyther;1-Methyl-4-phenoxybenzene #;DTXSID3061891;AMY9383;NSC83594;AKOS006273774;AB91899;CS-W006832;DS-2396;FT-0712939;A882009;J-010635

Chemical Property of 1-Methyl-4-phenoxybenzene

Chemical Property:

• Vapor Pressure: 0.0125mmHg at 25°C
• Melting Point: 104 °C
• Boiling Point: 268.8°Cat760mmHg
• Flash Point: 110.6°C
• PSA: 9.23000
• Density: 1.045g/cm³
• LogP: 3.78730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.088815002
• Heavy Atom Count: 14
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-4-phenoxybenzene >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC2=CC=CC=C2

Technology Process of 1-Methyl-4-phenoxybenzene

There total 86 articles about 1-Methyl-4-phenoxybenzene 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-cresol (106-44-5) + iodobenzene (591-50-4) → 4-phenoxytoluene (1706-12-3)

Guidance literature:

With copper(l) iodide; potassium carbonate; Raney Ni-Al alloy; In 1,4-dioxane; at 110 ℃; for 12h;

DOI:10.1055/s-2003-41476

Reference yield: 99.0%

p-cresol (106-44-5) + chlorobenzene (108-90-7) → 4-phenoxytoluene (1706-12-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 12h;

DOI:10.1002/adsc.201000977

Reference yield: 99.0%

para-bromotoluene (106-38-7) + phenol (108-95-2,27073-41-2) → 4-phenoxytoluene (1706-12-3)

Guidance literature:

With copper(l) iodide; potassium carbonate; copper(I) bromide; Raney Ni-Al alloy; In 1,4-dioxane; at 110 ℃; for 24h;

DOI:10.1055/s-2003-41476

upstream raw materials:

bromobenzene

p-cresol

potassium p-cresolate

iodobenzene

Downstream raw materials:

p-cresol

1-(bromomethyl)-4-phenoxybenzene

2-methylphenoxathiin

4-Phenoxybenzoic acid