3-(Butylthio)propionaldehyde

Base Information

• Chemical Name: 3-(Butylthio)propionaldehyde
• CAS No.: 19378-51-9
• Molecular Formula: C7H14 O S
• Molecular Weight: 146.254
• Hs Code.: 2930909090
• European Community (EC) Number: 243-007-6
• UNII: SSA8U3AC4P
• DSSTox Substance ID: DTXSID80172991
• Nikkaji Number: J242.790G
• Wikidata: Q83043088
• Mol file: 19378-51-9.mol

Synonyms:3-(Butylthio)propionaldehyde;3-butylsulfanylpropanal;19378-51-9;3-(Butylthio)propanal;EINECS 243-007-6;propanal, 3-(butylthio)-;3-butylthiopropanal;SSA8U3AC4P;beta-(n-butylmercapto)propanal;SCHEMBL10774839;DTXSID80172991;beta-n-butylmercaptopropionaldehyde;AKOS005068172

Chemical Property of 3-(Butylthio)propionaldehyde

Chemical Property:

• Vapor Pressure: 0.167mmHg at 25°C
• Boiling Point: 213.2°Cat760mmHg
• Flash Point: 82.8°C
• PSA: 42.37000
• Density: 0.941g/cm³
• LogP: 2.10870
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 146.07653624
• Heavy Atom Count: 9
• Complexity: 63.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSCCC=O

Technology Process of 3-(Butylthio)propionaldehyde

There total 4 articles about 3-(Butylthio)propionaldehyde 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: 50.0%

n-butyllithium (109-72-8,29786-93-4) + acrolein (107-02-8,25068-14-8) → 3-butylsulfanyl-propionaldehyde (19378-51-9)

Guidance literature:

n-butyllithium; With sulfur; In tetrahydrofuran; hexane; at 0 ℃;

With water; In tetrahydrofuran; hexane; for 0.166667h;

acrolein; In tetrahydrofuran; hexane; for 0.5h; Further stages.;

DOI:10.1016/j.jorganchem.2008.06.014

Reference yield:

n-butanethiol (109-79-5) + acrolein (107-02-8,25068-14-8) → 3-butylsulfanyl-propionaldehyde (19378-51-9)

Guidance literature:

With copper diacetate;

DOI:10.1002/hlca.19590420310

Reference yield:

1,1,3-tris-butylsulfanyl-propane (38875-95-5) → 3-butylsulfanyl-propionaldehyde (19378-51-9)

Guidance literature:

With ethanol; mercury dichloride;

DOI:10.1007/BF00854613

upstream raw materials:

n-butanethiol

acrolein

1,1,3-tris-butylsulfanyl-propane

n-butyllithium

Downstream raw materials:

[3-Butylsulfanyl-1-(3-phenyl-thioureido)-propyl]-phosphonic acid diphenyl ester