Mercaptoethyl caproate

Base Information

• Chemical Name: Mercaptoethyl caproate
• CAS No.: 22909-86-0
• Molecular Formula: C₈H₁₆O₂S
• Molecular Weight: 176.28
• DSSTox Substance ID: DTXSID30177456
• Wikidata: Q83047784

Synonyms:mercaptoethyl caproate

Chemical Property of Mercaptoethyl caproate

Chemical Property:

• Vapor Pressure: 0.0505mmHg at 25°C
• Boiling Point: 235.3°Cat760mmHg
• Flash Point: 109.3°C
• Density: 0.989g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 176.08710092
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OCCS

Technology Process of Mercaptoethyl caproate

There total 1 articles about Mercaptoethyl caproate 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: 81.0%

2-(tritylthio)ethyl hexanoate → 2-mercaptoethyl hexanoate (22909-86-0)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1039/c8cc02415d

Reference yield: 100.0%

3,5-bis(prop-2-yn-1-yloxy) benzoic acid (664334-21-8) + 2-mercaptoethyl hexanoate (22909-86-0) → C45H74O12S4

Guidance literature:

With 2,2-dimethoxy-2-phenylacetophenone; In N,N-dimethyl-formamide; for 2h; Inert atmosphere;

DOI:10.1021/acs.biomac.0c00882

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