1-Butylthio-2-propanol

Base Information

• Chemical Name: 1-Butylthio-2-propanol
• CAS No.: 53408-89-2
• Molecular Formula: C7H16OS
• Molecular Weight: 148.269
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10968066
• Nikkaji Number: J90.530E
• Mol file: 53408-89-2.mol

Synonyms:1-Butylthio-2-propanol;2-Propanol, 1-butylthio-;BRN 1733911;53408-89-2;3-01-00-02156 (Beilstein Handbook Reference);1-(Butylthio)-2-propanol;1-(Butylsulfanyl)propan-2-ol;2-Propanol, 1-(butylthio)-;SCHEMBL10946806;DTXSID10968066;LS-121871

Chemical Property of 1-Butylthio-2-propanol

Chemical Property:

• Vapor Pressure: 0.0127mmHg at 25°C
• Boiling Point: 230.3°Cat760mmHg
• Flash Point: 112.7°C
• PSA: 45.53000
• Density: 0.95g/cm³
• LogP: 1.90050
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 148.09218630
• Heavy Atom Count: 9
• Complexity: 56.9

Purity/Quality:

99% ^*data from raw suppliers

1-(BUTYLSULFANYL)PROPAN-2-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSCC(C)O

Technology Process of 1-Butylthio-2-propanol

There total 8 articles about 1-Butylthio-2-propanol 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: 89.0%

n-butanethiol (109-79-5) + methyloxirane (75-56-9,16033-71-9) → 2-(butylthio)-1-methylethan-1-ol (53408-89-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1039/c4ra01672f

Reference yield: 87.0%

2-[bis(butylthio)methylene]-3-oxo-N-o-tolylbutanamide (885517-59-9) + methyloxirane (75-56-9,16033-71-9) → 2-(butylthio)-1-methylethan-1-ol (53408-89-2)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 0.916667h;

DOI:10.1055/s-2006-958438

Reference yield: 36.0%

n-butanethiol (109-79-5) + methyloxirane (75-56-9,16033-71-9) → propylene glycol (57-55-6,63625-56-9) + 2-(butylthio)-1-methylethan-1-ol (53408-89-2) + 2-(1-butylthio)propan-1-ol (24949-36-8) + 1-(2-Butylsulfanyl-propoxy)-propan-2-ol

Guidance literature:

With toluene-4-sulfonic acid; for 12h; Heating;

upstream raw materials:

n-butanethiol

methyloxirane

2-[bis(butylthio)methylene]-3-oxo-N-o-tolylbutanamide