3-Mercapto-2-methyl-1-butanol

Base Information

• Chemical Name: 3-Mercapto-2-methyl-1-butanol
• CAS No.: 227456-33-9
• Molecular Formula: C5H12OS
• Molecular Weight: 120.21300
• European Community (EC) Number: 639-009-5
• DSSTox Substance ID: DTXSID40945426
• Nikkaji Number: J2.438.079C
• Mol file: 227456-33-9.mol

Synonyms:2-methyl-3-sulfanylbutan-1-ol;227456-33-9;3-MERCAPTO-2-METHYL-1-BUTANOL;1-Butanol, 3-mercapto-2-methyl-;3-mercapto-2-methyl butanol;UNII-37ZRE7AMO5;3-mercapto-2-methylbutanol;FEMA No. 3993;37ZRE7AMO5;Erythro- and threo-3-mercapto-2-methylbutan-1-ol;Erythro- and threo-3-mercapto-2-methylbutan-1-ol [FHFI];3-mercapto-2-methylbutan-1-ol;SCHEMBL334228;2-methyl-3-mercapto-1-butanol;2-Methyl-3-mercaptobutane-1-ol;DTXSID40945426;CHEBI:156147;RFMHFOPFUZZBAD-UHFFFAOYSA-N;AKOS024258060;F87289;EN300-7585774;A929297

Chemical Property of 3-Mercapto-2-methyl-1-butanol

Chemical Property:

• Vapor Pressure: 0.15mmHg at 25°C
• Boiling Point: 190.1oC at 760 mmHg
• Flash Point: 68.8oC
• PSA: 59.03000
• Density: 0.974g/cm3
• LogP: 0.93310
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 120.06088618
• Heavy Atom Count: 7
• Complexity: 47.3

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)C(C)S

Technology Process of 3-Mercapto-2-methyl-1-butanol

There total 2 articles about 3-Mercapto-2-methyl-1-butanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

thioacetic acid S-(1,2-dimethyl-3-oxopropyl) ester → 2-methyl-3-sulfanylbutan-1-ol (227456-33-9) + 2-methyl-3-sulfanylbutan-1-ol (227456-33-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; optical yield given as %de; Inert atmosphere; Cooling with ice;

DOI:10.1021/jf062582v

Reference yield:

thioacetic acid S-(1,2-dimethyl-3-oxopropyl) ester → 2-methyl-3-sulfanylbutan-1-ol (227456-33-9) + 2-methyl-3-sulfanylbutan-1-ol (227456-33-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; optical yield given as %de; Inert atmosphere; Cooling with ice;

DOI:10.1021/jf062582v