Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester

Base Information

• Chemical Name: Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester
• CAS No.: 220727-26-4
• Deprecated CAS: 1086279-01-7
• Molecular Formula: C17H36 O4 S Si
• Molecular Weight: 364.622
• European Community (EC) Number: 436-690-9
• DSSTox Substance ID: DTXSID00889135
• Nikkaji Number: J2.098.745F
• Wikidata: Q72497435
• Mol file: 220727-26-4.mol

Synonyms:220727-26-4;S-(OCTANOYL)MERCAPTOPROPYLTRIETHOXYSILANE;S-(3-triethoxysilylpropyl) octanethioate;Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester;3-Octanoylthio-1-propyltriethoxysilane;Octanethioic acid, S-(3-(triethoxysilyl)propyl) ester;SCHEMBL75725;octanoylthiopropyltriethoxysilane;DTXSID00889135;JPPLPDOXWBVPCW-UHFFFAOYSA-N;AMY30956;MFCD08275350;3-octanoylthio-l-propyltriethoxysilane;3-Triethoxysilyl-1-Propyl Thioctanoate;S-(Ctanoyl)Mercaptopropyltriethoxysilane;3-(octanoylthio)-1-propyltriethoxysilane;s-3-(triethoxysilyl)propyl octanethioate;NS00113736

Chemical Property of Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester

Chemical Property:

• Vapor Pressure: 2.7E-06mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 390.2°C at 760 mmHg
• Flash Point: 176°C
• Density: 0,969 g/cm3
• Water Solubility.: 536μg/L at 20℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 17
• Exact Mass: 364.21035733
• Heavy Atom Count: 23
• Complexity: 273

Purity/Quality:

97.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)SCCC[Si](OCC)(OCC)OCC

Technology Process of Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester

There total 10 articles about Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester 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: 88.7%

3-Mercaptopropyltriethoxysilane (14814-09-6) + cyclohexanethiooctanoate (59051-66-0) → 3-(octanoylsulfanyl)-1-propyltriethoxysilane (220727-26-4)

Guidance literature:

With potassium tert-butylate; at 80 - 120 ℃; for 6h; under 14 - 20 Torr; Inert atmosphere;

Reference yield: 87.0%

3-Mercaptopropyltriethoxysilane (14814-09-6) + n-octanoic acid chloride (111-64-8) → 3-(octanoylsulfanyl)-1-propyltriethoxysilane (220727-26-4)

Guidance literature:

With triethylamine; In hexane; at 0 ℃; for 2h;

Reference yield:

3-Mercaptopropyltriethoxysilane (14814-09-6) + hexyl thiooctanoic acid ester (55590-85-7) → 3-(octanoylsulfanyl)-1-propyltriethoxysilane (220727-26-4)

Guidance literature:

With ethanol; sodium ethanolate; at 80 - 120 ℃; for 8h; under 30 - 140 Torr; Inert atmosphere;

upstream raw materials:

(3-chloropropyl)triethoxysilane

3-Mercaptopropyltriethoxysilane

n-octanoic acid chloride

bis(3-triethoxysilylpropyl) tetrasulfide

Downstream raw materials:

3-octanoylthio-propyl(ethoxy)-1,3-dioxa-6-methylaza-2-silacyclooctane

C₁₉H₄₁NO₄SSi

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