Propanoic acid, 3-mercapto-, tridecyl ester

Base Information

• Chemical Name: Propanoic acid, 3-mercapto-, tridecyl ester
• CAS No.: 50727-77-0
• Molecular Formula: C16H32 O2 S
• Molecular Weight: 288.49
• Hs Code.: 2930909090
• European Community (EC) Number: 256-738-0
• DSSTox Substance ID: DTXSID5068578
• Nikkaji Number: J422.543K
• Wikidata: Q81995339
• Mol file: 50727-77-0.mol

Synonyms:50727-77-0;tridecyl 3-sulfanylpropanoate;Propanoic acid, 3-mercapto-, tridecyl ester;Tridecyl 3-mercaptopropionate;Propanoic acid, 3-mercapto, tridecyl ester;Propanoic acid,3-mercapto-, tridecyl ester;EINECS 256-738-0;tridecyl 3-mercaptopropanoate;SCHEMBL7934038;DTXSID5068578;3-Mercaptopropanoic acid tridecyl ester;FT-0734619;W-111003

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

Chemical Property:

• Vapor Pressure: 9.93E-06mmHg at 25°C
• Boiling Point: 372°C at 760 mmHg
• Flash Point: 221.8°C
• PSA: 65.10000
• Density: 0.93g/cm³
• LogP: 5.16050
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 288.21230143
• Heavy Atom Count: 19
• Complexity: 195

Purity/Quality:

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

TRIDECYL-3-MERCAPTOPROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCOC(=O)CCS