1-Methyl 2-sulphooctanoate

Base Information

• Chemical Name: 1-Methyl 2-sulphooctanoate
• CAS No.: 67633-90-3
• Molecular Formula: C9H18O5S
• Molecular Weight: 238.3012
• European Community (EC) Number: 266-791-1
• DSSTox Substance ID: DTXSID00886846
• Nikkaji Number: J333.230F
• Mol file: 67633-90-3.mol

Synonyms:1-Methyl 2-sulphooctanoate;1-Methyl 2-sulfooctanoate;67633-90-3;Methyl caprylate-alpha-sulfonic acid;Octanoic acid, 2-sulfo-, 1-methyl ester;EINECS 266-791-1;DTXSID00886846;2-Sulfooctanoic acid 1-methyl ester

Chemical Property of 1-Methyl 2-sulphooctanoate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.194g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 238.08749484
• Heavy Atom Count: 15
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(C(=O)OC)S(=O)(=O)O

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