4-Hexadecyloxyphenol

Base Information

• Chemical Name: 4-Hexadecyloxyphenol
• CAS No.: 13037-88-2
• Molecular Formula: C22H38 O2
• Molecular Weight: 334.543
• Hs Code.: 2909500000
• European Community (EC) Number: 653-728-1
• DSSTox Substance ID: DTXSID90402599
• Nikkaji Number: J701.576C
• Wikidata: Q82206024
• Mol file: 13037-88-2.mol

Synonyms:4-HEXADECYLOXYPHENOL;4-hexadecoxyphenol;13037-88-2;4-(Hexadecyloxy)phenol;4-n-hexadecyloxyphenol;p-Hexadecyloxyphenol;Phenol, 4-(hexadecyloxy)-;p-(Hexadecyloxy)phenol;SCHEMBL338173;DTXSID90402599;CWTMUDGIRYDDHJ-UHFFFAOYSA-N;AKOS015911865

Chemical Property of 4-Hexadecyloxyphenol

Chemical Property:

• Vapor Pressure: 7.72E-09mmHg at 25°C
• Boiling Point: 453.4°Cat760mmHg
• Flash Point: 164.9°C
• PSA: 29.46000
• Density: 0.93g/cm³
• LogP: 7.25230
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 334.287180451
• Heavy Atom Count: 24
• Complexity: 246

Purity/Quality:

98%Min ^*data from raw suppliers

4-(HEXADECYLOXY)PHENOL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)O
• Uses: 4-Hexadecyloxyphenol is used as a reactant in the enzyme-mediated two-dimensional polymerization of aromatic derivatives on a Langmuir Trough.

Technology Process of 4-Hexadecyloxyphenol

There total 13 articles about 4-Hexadecyloxyphenol 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: 90.0%

hydroquinone (123-31-9,8027-02-9) + hexadecanyl bromide (112-82-3) → p-(hexadecyloxy)phenol (13037-88-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 150 ℃; for 4h;

DOI:10.1134/S1070428014070094

Reference yield: 53.6%

p-n-hexadecyloxybenzaldehyde (59117-18-9) → p-(hexadecyloxy)phenol (13037-88-2)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; In methanol; chloroform; at 20 ℃; for 46h; Darkness;

DOI:10.1142/S108842461850092X

Reference yield:

hexadecanyl bromide (112-82-3) → p-(hexadecyloxy)phenol (13037-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd/C

With hydrogen; palladium on activated charcoal;

DOI:10.1039/b516189d

upstream raw materials:

tosylate de n-hexadecyle

sodium 4-hydroxybenzen-1-olate

hydroquinone

hexadecanyl bromide

Downstream raw materials:

4-(4-Hexadecyloxy-phenoxymethyl)-2,2-dimethyl-[1,3]dioxolane

1-(n-hexadecyloxy), 4-(8-methoxy-3,6-dioxa-1-undecoxy) benzene

4-Benzyloxy-benzoic acid 4-hexadecyloxy-phenyl ester