Benzene, 1-(phenylmethoxy)-4-(1,1,3,3-tetramethylbutyl)-

Base Information

• Chemical Name: Benzene, 1-(phenylmethoxy)-4-(1,1,3,3-tetramethylbutyl)-
• CAS No.: 110875-85-9
• Molecular Formula: C₂₁H₂₈O
• Molecular Weight: 296.453
• European Community (EC) Number: 665-842-9
• DSSTox Substance ID: DTXSID90399677
• Wikidata: Q82202359
• ChEMBL ID: CHEMBL1795390
• Mol file: 110875-85-9.mol

Synonyms:110875-85-9;Benzene, 1-(phenylmethoxy)-4-(1,1,3,3-tetramethylbutyl)-;CHEMBL1795390;SCHEMBL11057809;DTXSID90399677;AKOS024323996;1-(benzyloxy)-4-(1,1,3,3-tetramethylbutyl)benzene;1-(BENZYLOXY)-4-(2,4,4-TRIMETHYLPENTAN-2-YL)BENZENE

Chemical Property of Benzene, 1-(phenylmethoxy)-4-(1,1,3,3-tetramethylbutyl)-

Chemical Property:

• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 296.214015512
• Heavy Atom Count: 22
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC=C2

Technology Process of Benzene, 1-(phenylmethoxy)-4-(1,1,3,3-tetramethylbutyl)-

There total 4 articles about Benzene, 1-(phenylmethoxy)-4-(1,1,3,3-tetramethylbutyl)- 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:

benzyl bromide (100-39-0) + 1,1,3,3-tetramethylbutylphenolate sodium (59388-61-3) → GRI 511254 (110875-85-9)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01520a030

Reference yield:

benzyl bromide (100-39-0) → 2-Benzyl-4-(1,1,3,3-tetramethyl-butyl)-phenol (37693-05-3) + GRI 511254 (110875-85-9)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01520a030

Reference yield:

benzyl chloride (100-44-7) + 1,1,3,3-tetramethylbutylphenolate sodium (59388-61-3) → GRI 511254 (110875-85-9)

Guidance literature:

With ethanol;

DOI:10.1021/ie50347a014

upstream raw materials:

1,2-dimethoxyethane

diethyl ether

benzyl bromide

tert-octylphenol