2-Mercaptoethyl octanoate

Base Information

• Chemical Name: 2-Mercaptoethyl octanoate
• CAS No.: 57813-59-9
• Molecular Formula: C10H20 O2 S
• Molecular Weight: 204.33
• European Community (EC) Number: 260-971-3
• UNII: 5HO4I1XB49
• DSSTox Substance ID: DTXSID0069204
• Nikkaji Number: J93.652I
• Wikidata: Q27262206
• Mol file: 57813-59-9.mol

Synonyms:2-Mercaptoethyl octanoate;2-sulfanylethyl octanoate;57813-59-9;Octanoic acid, 2-mercaptoethyl ester;UNII-5HO4I1XB49;5HO4I1XB49;EINECS 260-971-3;mercaptoethyl octanoate;2-mercaptoethyl caprylate;SCHEMBL1251319;DTXSID0069204;Octanoic acid 2-mercaptoethyl ester;Q27262206

Chemical Property of 2-Mercaptoethyl octanoate

Chemical Property:

• Vapor Pressure: 0.00606mmHg at 25°C
• Boiling Point: 272.5°Cat760mmHg
• PKA: 9.21±0.10(Predicted)
• Flash Point: 139.5°C
• PSA: 65.10000
• Density: 0.967g/cm³
• LogP: 2.81990
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 204.11840105
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OCCS