Isodecyl 3-mercaptopropionate

Base Information

• Chemical Name: Isodecyl 3-mercaptopropionate
• CAS No.: 68908-14-5
• Molecular Formula: C13H26O2S
• Molecular Weight: 246.4093
• DSSTox Substance ID: DTXSID5071830
• Nikkaji Number: J441.238I
• Wikidata: Q81999636
• Mol file: 68908-14-5.mol

Synonyms:Isodecyl 3-mercaptopropionate;68908-14-5;Isodecyl beta-mercaptopropionate;Propanoic acid, 3-mercapto-, isodecyl ester;SCHEMBL7108720;DTXSID5071830

Chemical Property of Isodecyl 3-mercaptopropionate

Chemical Property:

• Vapor Pressure: 0.000326mmHg at 25°C
• Boiling Point: 320°Cat760mmHg
• Flash Point: 176.6°C
• PSA: 0.00000
• Density: 0.943g/cm³
• LogP: 0.00000
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 246.16535124
• Heavy Atom Count: 16
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCCCCCOC(=O)CCS