2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate

Base Information

• Chemical Name: 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate
• CAS No.: 67905-23-1
• Molecular Formula: C9H18O4S
• Molecular Weight: 222.30182
• European Community (EC) Number: 267-642-3
• DSSTox Substance ID: DTXSID6070801
• Nikkaji Number: J287.674D
• Wikidata: Q81998195
• Mol file: 67905-23-1.mol

Synonyms:67905-23-1;Trimethylolpropane mono(3-mercaptopropionate);2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate;EINECS 267-642-3;Propanoic acid, 3-mercapto-, 2,2-bis(hydroxymethyl)butyl ester;2,2-bis-(Hydroxymethyl)butyl 3-mercaptopropionate;SCHEMBL7606318;DTXSID6070801;C9-H18-O4-S;3-Mercaptopropionic acid 2,2-bis(hydroxymethyl)butyl ester

Chemical Property of 2,2-Bis(hydroxymethyl)butyl 3-mercaptopropionate

Chemical Property:

• Vapor Pressure: 1.66E-05mmHg at 25°C
• Boiling Point: 326.3°C at 760 mmHg
• PKA: 9.63±0.10(Predicted)
• Flash Point: 151.2°C
• PSA: 105.56000
• Density: 1.171g/cm³
• LogP: 0.23050
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 222.09258022
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CO)(CO)COC(=O)CCS

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