1-(Dodecylthio)-2-propanol

Base Information

• Chemical Name: 1-(Dodecylthio)-2-propanol
• CAS No.: 82412-31-5
• Molecular Formula: C₁₅H₃₂OS
• Molecular Weight: 260.484
• DSSTox Substance ID: DTXSID401002667
• Nikkaji Number: J1.639.626E
• Mol file: 82412-31-5.mol

Synonyms:1-(Dodecylthio)-2-propanol;2-Propanol, 1-(dodecylthio)-;82412-31-5;Dodecyl hydroxypropyl sulfide;SCHEMBL4439315;DTXSID401002667;1-(DODECYLSULFANYL)PROPAN-2-OL

Chemical Property of 1-(Dodecylthio)-2-propanol

Chemical Property:

• Vapor Pressure: 7.95E-07mmHg at 25°C
• Boiling Point: 365.6°Cat760mmHg
• Flash Point: 177.7°C
• Density: 0.904g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 260.21738681
• Heavy Atom Count: 17
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSCC(C)O

Technology Process of 1-(Dodecylthio)-2-propanol

There total 3 articles about 1-(Dodecylthio)-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:

methyloxirane (75-56-9,16033-71-9) + 1-dodecylthiol (112-55-0) → 1-methyl-2-(dodecylthio)ethanol (82412-31-5)

Guidance literature:

With sodium dodecanethiolate; In various solvent(s); at 99.9 ℃; Rate constant; Mechanism; Thermodynamic data; var. temperature; E, ΔH(excit.), ΔS₃₈₃(excit.);

Reference yield:

methyloxirane (75-56-9,16033-71-9) + 1-dodecylthiol (112-55-0) → 1-methyl-2-(dodecylthio)ethanol (82412-31-5) + 1-(2-Dodecylsulfanyl-1-methyl-ethoxy)-propan-2-ol

Guidance literature:

With sodium; Multistep reaction; 1.) 100 deg C, 2.) from 120 to 130;

Reference yield:

→ 1-methyl-2-(dodecylthio)ethanol (82412-31-5)

Guidance literature:

upstream raw materials:

methyloxirane

1-dodecylthiol