2-Mercaptoethyl 2-ethylhexanoate

Base Information

• Chemical Name: 2-Mercaptoethyl 2-ethylhexanoate
• CAS No.: 67859-57-8
• Molecular Formula: C10H20O2S
• Molecular Weight: 204.3296
• European Community (EC) Number: 267-404-9
• UNII: 5TNU9SB6FC
• DSSTox Substance ID: DTXSID20886964
• Nikkaji Number: J287.532B
• Mol file: 67859-57-8.mol

Synonyms:2-Mercaptoethyl 2-ethylhexanoate;67859-57-8;5TNU9SB6FC;Hexanoic acid, 2-ethyl-, 2-mercaptoethyl ester;EINECS 267-404-9;2-sulfanylethyl 2-ethylhexanoate;UNII-5TNU9SB6FC;SCHEMBL2679548;DTXSID20886964;2-Ethylhexanoic acid 2-mercaptoethyl ester

Chemical Property of 2-Mercaptoethyl 2-ethylhexanoate

Chemical Property:

• Vapor Pressure: 0.00837mmHg at 25°C
• Boiling Point: 267°Cat760mmHg
• Flash Point: 132.3°C
• PSA: 65.10000
• Density: 0.966g/cm³
• LogP: 2.67580
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 204.11840105
• Heavy Atom Count: 13
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(=O)OCCS