4-Octylresorcinol

Base Information

• Chemical Name: 4-Octylresorcinol
• CAS No.: 6565-70-4
• Molecular Formula: C14H22 O2
• Molecular Weight: 222.327
• Hs Code.: 2907299090
• UNII: U6Q4P7022U
• DSSTox Substance ID: DTXSID4041525
• Nikkaji Number: J48.384B
• Wikidata: Q27290762
• Mol file: 6565-70-4.mol

Synonyms:4-octylbenzene-1,3-diol;4-Octylresorcinol;6565-70-4;Octylresorcinol;1,3-Benzenediol, 4-octyl-;Resorcinol, 4-octyl-;BRN 2558780;Recorsinol, 4-octyl-;UNII-U6Q4P7022U;AI3-08060;U6Q4P7022U;3-06-00-04734 (Beilstein Handbook Reference);4-n-octyl resorcinol;OCTYLRESORCINOL, 4-;SCHEMBL69504;DTXSID4041525;4-OCTYL-1,3-BENZENEDIOL;MFCD01684758;STK663855;AKOS003349481;LS-07625;LS-143419;CS-0199457;FT-0770367;E84279;Q27290762

Chemical Property of 4-Octylresorcinol

Chemical Property:

• Vapor Pressure: 1.25E-05mmHg at 25°C
• Melting Point: 65-70 °C
• Boiling Point: 358.2°C at 760 mmHg
• PKA: 9.97±0.20(Predicted)
• Flash Point: 165.6°C
• PSA: 40.46000
• Density: 1.019g/cm³
• LogP: 4.00080
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 222.161979940
• Heavy Atom Count: 16
• Complexity: 170

Purity/Quality:

98% ^*data from raw suppliers

4-Octylbenzene-1,3-diol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1=C(C=C(C=C1)O)O

Technology Process of 4-Octylresorcinol

There total 6 articles about 4-Octylresorcinol 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: 64.0%

1-(2,4-dihydroxyphenyl)octan-1-one (37622-68-7) → 4-octylresorcinol (6565-70-4)

Guidance literature:

With hydrogenchloride; amalgamated zinc; In ethanol;

Reference yield:

→ 4-octylresorcinol (6565-70-4)

Guidance literature:

With hydrogenchloride; amalgamated zinc;

Reference yield:

n-octanoic acid chloride (111-64-8) → 4-octylresorcinol (6565-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / aluminum chloride / nitrobenzene

2: 64 percent / zinc amalgame, hydrochloric acid / ethanol

With hydrogenchloride; amalgamated zinc; aluminium trichloride; In ethanol; nitrobenzene;

upstream raw materials:

1-(2,4-dihydroxyphenyl)octan-1-one

hydrogenchloride

n-octanoic acid chloride

recorcinol

Downstream raw materials:

5-Amino-2-octyl-phenol

1-(2,4-Dihydroxy-5-octyl-phenyl)-2,2,2-trifluoro-ethanone

4-chloro-6-octyl-resorcinol