1-Hydroxy-3,6,9,12-tetraoxa-24-thiahexacosan-25-one

Base Information

Chemical Name:1-Hydroxy-3,6,9,12-tetraoxa-24-thiahexacosan-25-one
CAS No.:130727-51-4
Molecular Formula:C21H42O6S
Molecular Weight:422.627
Hs Code.:
European Community (EC) Number:693-369-8
DSSTox Substance ID:DTXSID60584856
Wikidata:Q82476596
Mol file:130727-51-4.mol

Synonyms:130727-51-4;S-[11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl] ethanethioate;S-(1-Hydroxy-3,6,9,12-tetraoxatricosan-23-yl) ethanethioate;1-HYDROXY-3,6,9,12-TETRAOXA-24-THIAHEXACOSAN-25-ONE;DTXSID60584856;[11-(Methylcarbonylthio)undecyl]tetra(ethylene glycol), 95%;S-(23-Hydroxy-12,15,18,21-tetraoxatricosan-1-yl) ethanethioate

Suppliers and Price of 1-Hydroxy-3,6,9,12-tetraoxa-24-thiahexacosan-25-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
[11-(Methylcarbonylthio)undecyl]tetra(ethylene glycol) 95%
250mg
$ 96.60

American Custom Chemicals Corporation
1-HYDROXY-3,6,9,12-TETRAOXA-24-THIAHEXACOSAN-25-ONE 95.00%
5MG
$ 500.94

Total 4 raw suppliers

Chemical Property of 1-Hydroxy-3,6,9,12-tetraoxa-24-thiahexacosan-25-one

Chemical Property:

Refractive Index:n20/D1.477
Boiling Point:516.8±35.0 °C(Predicted)
PKA:14.36±0.10(Predicted)
Flash Point:>110℃
PSA：99.52000
Density:1.015 g/mL at 25 °C
LogP:3.83570
Storage Temp.:?20°C
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:24
Exact Mass:422.27021023
Heavy Atom Count:28
Complexity:317

Purity/Quality:

99.90% ^*data from raw suppliers

[11-(Methylcarbonylthio)undecyl]tetra(ethylene glycol) 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:

Useful:

Canonical SMILES:CC(=O)SCCCCCCCCCCCOCCOCCOCCOCCO

Technology Process of 1-Hydroxy-3,6,9,12-tetraoxa-24-thiahexacosan-25-one

There total 5 articles about 1-Hydroxy-3,6,9,12-tetraoxa-24-thiahexacosan-25-one 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%

: 130727-46-7
undec-1-en-11-yltetra(ethylene glycol)

: 507-09-5
tiolacetic acid

: 130727-51-4
<1-<(methylcarbonyl)thio>undec-11-yl>tetra(ethylene glycol)

Guidance literature:: With 2,2'-azobis(isobutyronitrile); In methanol; for 1h; Inert atmosphere;

Reference yield:

: 112-60-7
Tetraethylene glycol

: 130727-51-4
<1-<(methylcarbonyl)thio>undec-11-yl>tetra(ethylene glycol)

Guidance literature:: Multi-step reaction with 2 steps

1: 63 percent / 50percent aq. sodium hydroxide / 24 h / 100 °C

2: AIBN / methanol / 6 h / Irradiation

With sodium hydroxide; 2,2'-azobis(isobutyronitrile); In methanol;
DOI:10.1021/ja00001a002

Reference yield:

: 872-17-3
11-chloroundec-1-ene

: 130727-51-4
<1-<(methylcarbonyl)thio>undec-11-yl>tetra(ethylene glycol)

Guidance literature:: Multi-step reaction with 2 steps

1: 63 percent / 50percent aq. sodium hydroxide / 24 h / 100 °C

2: AIBN / methanol / 6 h / Irradiation

With sodium hydroxide; 2,2'-azobis(isobutyronitrile); In methanol;
DOI:10.1021/ja00001a002