Decylthioacetic acid

Base Information

• Chemical Name: Decylthioacetic acid
• CAS No.: 10428-63-4
• Molecular Formula: C12H24 O2 S
• Molecular Weight: 232.387
• European Community (EC) Number: 233-905-6
• NSC Number: 408525
• UNII: P37W35C9F3
• DSSTox Substance ID: DTXSID50146366
• Nikkaji Number: J212.387H
• Wikidata: Q83011170
• Mol file: 10428-63-4.mol

Synonyms:Decylthioacetic acid;2-decylsulfanylacetic acid;10428-63-4;P37W35C9F3;EINECS 233-905-6;NSC-408525;AI3-16677;2-(decylthio)acetic acid;(Decylthio)acetic acid;Acetic acid, (decylthio)-;UNII-P37W35C9F3;S-DECYLTHIOGLYCOLIC ACID;SCHEMBL1405362;C12H24O2S;DTXSID50146366;2-(DECYLSULFANYL)ACETIC ACID;NSC408525;ACETIC ACID, 2-(DECYLTHIO)-;NSC 408525

Chemical Property of Decylthioacetic acid

Chemical Property:

• Vapor Pressure: 1.22E-05mmHg at 25°C
• Boiling Point: 343.9°Cat760mmHg
• Flash Point: 161.8°C
• PSA: 62.60000
• Density: 0.987g/cm³
• LogP: 3.94490
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 232.14970118
• Heavy Atom Count: 15
• Complexity: 149

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCSCC(=O)O

Technology Process of Decylthioacetic acid

There total 7 articles about Decylthioacetic acid 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: 86.0%

1-bromo dodecane (112-29-8) + mercaptoacetic acid (68-11-1) → 2-(decylthio)acetic acid (10428-63-4)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1016/j.ejmech.2019.03.044

Reference yield: 83.0%

methyl 2-(decylthio)acetate (294201-51-7) → 2-(decylthio)acetic acid (10428-63-4)

Guidance literature:

With lithium hydroxide; In ethanol; at 20 ℃; for 48h;

DOI:10.1016/j.tet.2014.03.050

Reference yield: 75.0%

1-bromo dodecane (112-29-8) + methyl thioglycolate → 2-(decylthio)acetic acid (10428-63-4)

Guidance literature:

1-bromo dodecane; methyl thioglycolate; With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 - 60 ℃; for 12h;

With water; sodium hydroxide; In ethanol;

upstream raw materials:

1-bromo dodecane

mercaptoacetic acid

1-Decene

1-(methylthio)decane

Downstream raw materials:

2-(decylsulfonyl)acetic acid

2-Decylthio-1-ethanol