1-Octanone, 1-(2-hydroxyphenyl)-

Base Information

• Chemical Name: 1-Octanone, 1-(2-hydroxyphenyl)-
• CAS No.: 3226-27-5
• Molecular Formula: C14H20O2
• Molecular Weight: 220.312
• DSSTox Substance ID: DTXSID30482198
• Wikidata: Q82318239
• Mol file: 3226-27-5.mol

Synonyms:1-Octanone, 1-(2-hydroxyphenyl)-;3226-27-5;1-(2-HYDROXYPHENYL)OCTAN-1-ONE;SCHEMBL6691190;1-(2-hydroxyphenyl)-1-octanone;DTXSID30482198

Chemical Property of 1-Octanone, 1-(2-hydroxyphenyl)-

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)C1=CC=CC=C1O

Technology Process of 1-Octanone, 1-(2-hydroxyphenyl)-

There total 8 articles about 1-Octanone, 1-(2-hydroxyphenyl)- 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: 60.0%

phenyl octanoate (5457-78-3) → 1-(4-hydroxyphenyl)octanone (2589-73-3) + 1-(2-hydroxy-phenyl)-octan-1-one (3226-27-5)

Guidance literature:

With aluminium trichloride; In nitrobenzene;

Reference yield:

n-octanoic acid chloride (111-64-8) + phenol (108-95-2,27073-41-2) → 1-(4-hydroxyphenyl)octanone (2589-73-3) + 1-(2-hydroxy-phenyl)-octan-1-one (3226-27-5)

Guidance literature:

With aluminium trichloride; 1,1,2,2-tetrachloroethane;

DOI:10.1021/jo01200a001 DOI:10.1021/jo01212a011

Reference yield:

phenyl octanoate (5457-78-3) → 1-(2-hydroxy-phenyl)-octan-1-one (3226-27-5)

Guidance literature:

With iron(III) chloride; 1,1,2,2-tetrachloroethane;

DOI:10.1021/jo01200a010

upstream raw materials:

phenyl octanoate

1-(4-hydroxyphenyl)octanone

n-octanoic acid chloride

phenol

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