1-Hexanol, 6-phenoxy-

Base Information

• Chemical Name: 1-Hexanol, 6-phenoxy-
• CAS No.: 16654-54-9
• Molecular Formula: C12H18O2
• Molecular Weight: 194.274
• DSSTox Substance ID: DTXSID60485192
• Nikkaji Number: J1.188.365F
• Wikidata: Q82324162
• Mol file: 16654-54-9.mol

Synonyms:1-Hexanol, 6-phenoxy-;6-phenoxyhexan-1-ol;16654-54-9;6-(Phenoxy)hexan-1-ol;6-(Phenoxy)-1-hexanol;SCHEMBL97415;DTXSID60485192;KGAAHYOKTFZJFD-UHFFFAOYSA-N;AKOS006285912;CS-0336922;A1-21127

Chemical Property of 1-Hexanol, 6-phenoxy-

Chemical Property:

• PSA: 29.46000
• LogP: 2.61810
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

6-PHENOXYHEXAN-1-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Hexanol, 6-phenoxy-

There total 12 articles about 1-Hexanol, 6-phenoxy- 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: 96.0%

1-bromo-6-hexanol (4286-55-9) + phenol (108-95-2,27073-41-2) → 6-phenoxyhexan-1-ol (16654-54-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/j.bmcl.2004.03.063

Reference yield: 86.1%

6-chloro-1-hexanol (2009-83-8) + phenol (108-95-2,27073-41-2) → 6-phenoxyhexan-1-ol (16654-54-9)

Guidance literature:

phenol; With sodium hydroxide; In water; for 0.166667h; Reflux; Inert atmosphere;

6-chloro-1-hexanol; In water; for 40h; Reflux; Inert atmosphere; Glovebox;

DOI:10.1016/j.poly.2013.08.066

Reference yield: 76.0%

(6-hydroxyhexyl)tosylate (75351-33-6) + phenol (108-95-2,27073-41-2) → 6-phenoxyhexan-1-ol (16654-54-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 - 70 ℃; for 5h;

DOI:10.1002/1521-3765(20010618)7:12<2687::AID-CHEM26870>3.0.CO;2-A

upstream raw materials:

6-phenoxyhexanoic acid

1,6-hexanediol

triphenylbismuth(V) diacetate

sodium phenoxide

Downstream raw materials:

6-bromohexyloxybenzene

((6-iodohexyl)oxy)benzene

6-Phenoxy-hexyl-trimethylsilylaether

Toluene-4-sulfonic acid 6-phenoxyhexyl ester