Propanoic acid, 3-mercapto-, octadecyl ester

Base Information

• Chemical Name: Propanoic acid, 3-mercapto-, octadecyl ester
• CAS No.: 31778-15-1
• Molecular Formula: C₂₁H₄₂O₂S
• Molecular Weight: 358.629
• European Community (EC) Number: 250-801-6
• DSSTox Substance ID: DTXSID4067646
• Nikkaji Number: J278.187E
• Wikidata: Q81994273
• Mol file: 31778-15-1.mol

Synonyms:31778-15-1;Octadecyl 3-mercaptopropionate;Propanoic acid, 3-mercapto-, octadecyl ester;octadecyl 3-sulfanylpropanoate;octadecyl 3-mercaptopropanoate;3-Mercaptopropionic Acid Octadecyl Ester;EINECS 250-801-6;Stearyl 3-Mercaptopropionate;octadecyl3-mercaptopropanoate;Octadecyl 3-mercaotopropianate;SCHEMBL1573528;DTXSID4067646;C21H42O2S;MFCD00046844;AKOS028108647;3-Mercaptopropionic Acid Stearyl Ester;3-Mercaptopropanoic acid octadecyl ester;AS-76204;CS-0362567;FT-0747749;O0362;Octadecyl 3-mercaptopropionate (contains ca. 12% Hexadecyl 3-mercaptopropionate);Octadecyl 3-Mercaptopropionate, >/=85%,containsca.12%Hexadecyl3-Mercaptopropionate

Chemical Property of Propanoic acid, 3-mercapto-, octadecyl ester

Chemical Property:

• Vapor Pressure: 4.69E-08mmHg at 25°C
• Melting Point: 28 °C
• Refractive Index: 1.467
• Boiling Point: 443.3 °C at 760 mmHg
• PKA: 9.66±0.10(Predicted)
• Flash Point: 281 °C
• PSA: 65.10000
• Density: 0.913 g/cm³
• LogP: 7.11100
• Water Solubility.: 10mg/L at 21℃
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 358.29055175
• Heavy Atom Count: 24
• Complexity: 256

Purity/Quality:

99.9% ^*data from raw suppliers

Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCS

Technology Process of Propanoic acid, 3-mercapto-, octadecyl ester

There total 1 articles about Propanoic acid, 3-mercapto-, octadecyl 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:

→ octadecyl 3-sulfanylpropanoate (31778-15-1)

Guidance literature:

Refernces