(1-MERCAPTOUNDEC-11-YL)HEXA(ETHYLENE GL&

Base Information

• Chemical Name: (1-MERCAPTOUNDEC-11-YL)HEXA(ETHYLENE GL&
• CAS No.: 130727-44-5
• Molecular Formula: C₂₃H₄₈O₇S
• Molecular Weight: 468.696
• DSSTox Substance ID: DTXSID10584861
• Nikkaji Number: J749.781D
• Wikidata: Q82476604
• Mol file: 130727-44-5.mol

Synonyms:(1-Mercapto-11-undecyl)hexa(ethyleneglycol); 11-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-undecanethiol

Chemical Property of (1-MERCAPTOUNDEC-11-YL)HEXA(ETHYLENE GL&

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.473
• Boiling Point: 550.4°Cat760mmHg
• PKA: 10.49±0.10(Predicted)
• Flash Point: 286.7°C
• PSA: 114.41000
• Density: 1.023g/cm³
• LogP: 3.51900
• Storage Temp.: ?20°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 28
• Exact Mass: 468.31207504
• Heavy Atom Count: 31
• Complexity: 312

Purity/Quality:

98%,99%, ^*data from raw suppliers

(11-Mercaptoundecyl)hexa(ethylene glycol) 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCOCCOCCOCCOCCOCCOCCO)CCCCCS

Technology Process of (1-MERCAPTOUNDEC-11-YL)HEXA(ETHYLENE GL&

There total 4 articles about (1-MERCAPTOUNDEC-11-YL)HEXA(ETHYLENE GL& 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:

<1-<(methylcarbonyl)thio>undec-11-yl>hexa(ethylene glycol) (130727-53-6) → (1-mercaptoundec-11-yl)hexa(ethylene glycol) (130727-44-5)

Guidance literature:

With hydrogenchloride; In methanol; for 4h; Yield given; Heating;

DOI:10.1021/ja00001a002

Reference yield:

pentaethylene glycol (2615-15-8) → (1-mercaptoundec-11-yl)hexa(ethylene glycol) (130727-44-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 78 percent / 50percent aq. sodium hydroxide / 24 h / 100 °C

2: AIBN / methanol / 6 h / Irradiation

3: 0.1 M HCl / methanol / 4 h / Heating

With hydrogenchloride; sodium hydroxide; 2,2'-azobis(isobutyronitrile); In methanol;

DOI:10.1021/ja00001a002

Reference yield:

1-undecen-11-ylbromide (7766-50-9) → (1-mercaptoundec-11-yl)hexa(ethylene glycol) (130727-44-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 78 percent / 50percent aq. sodium hydroxide / 24 h / 100 °C

2: AIBN / methanol / 6 h / Irradiation

3: 0.1 M HCl / methanol / 4 h / Heating

With hydrogenchloride; sodium hydroxide; 2,2'-azobis(isobutyronitrile); In methanol;

DOI:10.1021/ja00001a002

upstream raw materials:

<1-<(methylcarbonyl)thio>undec-11-yl>hexa(ethylene glycol)

pentaethylene glycol

1-undecen-11-ylbromide

3,6,9,12,15,18-hexaoxa-28-nonacosen-1-ol