2-Mercaptoethyl oleate

Base Information

• Chemical Name: 2-Mercaptoethyl oleate
• CAS No.: 59118-78-4
• Molecular Formula: C20H38O2S
• Molecular Weight: 342.57952
• European Community (EC) Number: 261-609-7
• UNII: BDJ7C8GBWL
• DSSTox Substance ID: DTXSID4028048
• Nikkaji Number: J308.621F
• Wikidata: Q27274608
• Mol file: 59118-78-4.mol

Synonyms:2-Mercaptoethyl oleate;mercaptoethyl oleate;59118-78-4;9-Octadecenoic acid (9Z)-, 2-mercaptoethyl ester;BDJ7C8GBWL;UNII-BDJ7C8GBWL;EINECS 261-609-7;9-Octadecenoic acid (Z)-, 2-mercaptoethyl ester;Oleic acid 2-mercaptoethyl ester;2-sulfanylethyl (Z)-octadec-9-enoate;(Z)-9-octadecenoic acid 2-mercaptoethyl ester;SCHEMBL465505;DTXSID4028048;C20H38O2S;C20-H38-O2-S;2-mercaptoethyl (9Z)-octadec-9-enoate;J308.621F;LS-168577;9-Octadecenoic acid, 2-mercaptoethyl ester, (Z)-;A832169;Q27274608

Chemical Property of 2-Mercaptoethyl oleate

Chemical Property:

• Vapor Pressure: 9.54E-08mmHg at 25°C
• Refractive Index: 1.476
• Boiling Point: 434.3 °C at 760 mmHg
• Flash Point: 277.9 °C
• PSA: 65.10000
• Density: 0.926 g/cm³
• LogP: 6.49690
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 342.25925162
• Heavy Atom Count: 23
• Complexity: 277

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCS
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCS