3-Methoxybutyl 3-Mercaptopropionate

Base Information

• Chemical Name: 3-Methoxybutyl 3-Mercaptopropionate
• CAS No.: 27431-40-9
• Molecular Formula: C₈H₁₆O₃S
• Molecular Weight: 192.279
• Hs Code.: 2930909090
• European Community (EC) Number: 608-098-2
• DSSTox Substance ID: DTXSID90276257
• Nikkaji Number: J38.167E
• Mol file: 27431-40-9.mol

Synonyms:27431-40-9;3-Methoxybutyl 3-Mercaptopropionate;3-Methoxybutyl 3-mercaptopropanoate;3-methoxybutyl 3-sulfanylpropanoate;beta-MPA-MB;SCHEMBL1045729;DTXSID90276257;3-Methoxybutyl3-mercaptopropanoate;MFCD04038137;AKOS025295043;AS-62233;M1802;3-Mercaptopropionic Acid 3-Methoxybutyl Ester;E78881;A913290

Chemical Property of 3-Methoxybutyl 3-Mercaptopropionate

Chemical Property:

• Vapor Pressure: 0.00716mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 269.7°C at 760 mmHg
• PKA: 9.65±0.10(Predicted)
• Flash Point: 126 °C
• PSA: 74.33000
• Density: 1.05
• LogP: 1.27450
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 192.08201554
• Heavy Atom Count: 12
• Complexity: 128

Purity/Quality:

97% ^*data from raw suppliers

3-Methoxybutyl 3-Mercaptopropionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCOC(=O)CCS)OC

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