(Butylthio)acetic acid

Base Information

• Chemical Name: (Butylthio)acetic acid
• CAS No.: 20600-61-7
• Molecular Formula: C6H12O2S
• Molecular Weight: 148.226
• European Community (EC) Number: 243-907-9
• NSC Number: 75120
• DSSTox Substance ID: DTXSID00174614
• Nikkaji Number: J103.280A
• Wikidata: Q83044705
• Mol file: 20600-61-7.mol

Synonyms:(Butylthio)acetic acid;20600-61-7;2-butylsulfanylacetic acid;Acetic acid, (butylthio)-;2-(butylsulfanyl)acetic acid;(butylthio)aceticacid;Acetic acid, 2-(butylthio)-;EINECS 243-907-9;3-thia-heptanoic acid;(Butylsulfanyl)acetic acid;(Butylsulfanyl)acetic acid #;SCHEMBL911321;alpha-(n-butylthio)acetic acid;DTXSID00174614;NSC75120;NSC 75120;NSC-75120;AKOS000146414;CS-0246194;EN300-31901;J-013455;Z239951532

Chemical Property of (Butylthio)acetic acid

Chemical Property:

• Vapor Pressure: 0.00814mmHg at 25°C
• Boiling Point: 247.7°Cat760mmHg
• Flash Point: 103.6°C
• PSA: 62.60000
• Density: 1.088g/cm³
• LogP: 1.60430
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 148.05580079
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

99% ^*data from raw suppliers

2-(butylsulfanyl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSCC(=O)O

Technology Process of (Butylthio)acetic acid

There total 11 articles about (Butylthio)acetic 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: 90.0%

1-iodo-butane (542-69-8) + mercaptoacetic acid (68-11-1) → 2-(butylthio)acetic acid (20600-61-7)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 3h; Reflux;

Reference yield: 90.0%

n-butanethiol (109-79-5) + sodium monochloroacetic acid (3926-62-3) → 2-(butylthio)acetic acid (20600-61-7)

Guidance literature:

With sodium hydroxide; In water; for 1h; Heating;

DOI:10.1016/S0022-328X(01)00891-9

Reference yield: 77.0%

→ 2-(butylthio)acetic acid (20600-61-7)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 20 ℃; for 0.5h;

upstream raw materials:

sodium 1-buthanethiolate

sodium monochloroacetic acid

1-bromo-butane

mercaptoacetic acid

Downstream raw materials:

methyl 2-(butylthio)acetate

(C₆H₅)3Bi(OOCCH₂S(n-C₄H₉))2

triethylamine hydrobromide