1-(Hexyloxy)-4-methylbenzene

Base Information

• Chemical Name: 1-(Hexyloxy)-4-methylbenzene
• CAS No.: 57792-40-2
• Molecular Formula: C13H20O
• Molecular Weight: 192.301
• DSSTox Substance ID: DTXSID40568992
• Nikkaji Number: J1.594.625C
• Wikidata: Q82455681

Synonyms:1-hexoxy-4-methylbenzene;1-(HEXYLOXY)-4-METHYLBENZENE;57792-40-2;Benzene, 1-(hexyloxy)-4-methyl-;Benzene, 1-(hexyloxy)-4-methyl-,;Kresylhexylather;4-(n-hexyloxy)toluene;SCHEMBL762229;DTXSID40568992;LXXFRHKBLSRVAS-UHFFFAOYSA-N;AKOS014092063;A1-05157

Chemical Property of 1-(Hexyloxy)-4-methylbenzene

Chemical Property:

• PSA: 9.23000
• LogP: 3.95410
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 125

Purity/Quality:

Benzene 1-(hexyloxy)-4-methyl-,95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C

Technology Process of 1-(Hexyloxy)-4-methylbenzene

There total 4 articles about 1-(Hexyloxy)-4-methylbenzene 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: 86.0%

1-methylcyclohexan-4-one (589-92-4) + hexan-1-ol (111-27-3) → 1-(hexyloxy)-4-methylbenzene (57792-40-2)

Guidance literature:

With oct-1-ene; 5%-palladium/activated carbon; at 150 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1002/ejoc.201300485

Reference yield:

p-cresol (106-44-5) + hexan-1-ol (111-27-3) → 1-(hexyloxy)-4-methylbenzene (57792-40-2)

Guidance literature:

With [(C₆H₆)(PCy₃)(CO)RuH]⁺*BF₄^?; In chlorobenzene; at 70 ℃;

DOI:10.1021/cs5012537

Reference yield:

p-cresol (106-44-5) → 1-(hexyloxy)-4-methylbenzene (57792-40-2)

Guidance literature:

With sodium; Yield given. Multistep reaction;

DOI:10.1016/S0040-4020(97)00871-5

upstream raw materials:

p-cresol

1-bromo-hexane

1-methylcyclohexan-4-one

hexan-1-ol

Downstream raw materials:

p-Hexyloxybenzylbromid

2-(hexyloxy)-5-methylbenzonitrile

3-bromomethyl-4-hexyloxytoluene

ethyl 2-(4-(n-hexyloxy)phenyl)acetate

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