2-Propanol, 1-(hexyloxy)-

Base Information

• Chemical Name: 2-Propanol, 1-(hexyloxy)-
• CAS No.: 55546-21-9
• Molecular Formula: C9H20O2
• Molecular Weight: 160.2539
• DSSTox Substance ID: DTXSID60866487
• Nikkaji Number: J1.013.193F
• Mol file: 55546-21-9.mol

Synonyms:2-Propanol, 1-(hexyloxy)-;55546-21-9;1-(hexyloxy)propan-2-ol;propylene glycol n-hexyl ether;1-(Hexyloxy)-2-propanol;SCHEMBL186489;DTXSID60866487;AKOS011071846

Chemical Property of 2-Propanol, 1-(hexyloxy)-

Chemical Property:

• Vapor Pressure: 0.0329mmHg at 25°C
• Boiling Point: 215.1°Cat760mmHg
• Flash Point: 62.1°C
• Density: 0.883g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 160.146329876
• Heavy Atom Count: 11
• Complexity: 74

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOCC(C)O

Technology Process of 2-Propanol, 1-(hexyloxy)-

There total 4 articles about 2-Propanol, 1-(hexyloxy)- 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: 70.0%

methylmagnesium bromide (75-16-1) + hexyloxyethanal (17597-96-5) → 1-(1-hexyloxy)propan-2-ol (55546-21-9)

Guidance literature:

In tetrahydrofuran; for 0.5h;

DOI:10.1021/jm020072w

Reference yield:

methyloxirane (75-56-9,16033-71-9) + hexan-1-ol (111-27-3) → 1-(1-hexyloxy)propan-2-ol (55546-21-9)

Guidance literature:

Reference yield:

2-hexyloxyethanol (112-25-4) → 1-(1-hexyloxy)propan-2-ol (55546-21-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / oxalyl chloride; DMSO; Et₃N / CH₂Cl₂

2: 70 percent / tetrahydrofuran / 0.5 h

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm020072w

upstream raw materials:

methyloxirane

hexan-1-ol

methylmagnesium bromide

hexyloxyethanal