Acetic acid, mercapto-, dodecyl ester

Base Information

• Chemical Name: Acetic acid, mercapto-, dodecyl ester
• CAS No.: 3746-39-2
• Molecular Formula: C14H28 O2 S
• Molecular Weight: 260.441
• Hs Code.: 2930909090
• European Community (EC) Number: 223-138-5
• UNII: 6NP1056251
• DSSTox Substance ID: DTXSID9063160
• Nikkaji Number: J217.640H
• Wikidata: Q27265206
• Mol file: 3746-39-2.mol

Synonyms:Lauryl thioglycolate;3746-39-2;ACETIC ACID, MERCAPTO-, DODECYL ESTER;Dodecyl mercaptoacetate;dodecyl 2-sulfanylacetate;Dodecyl thioglycolate;n-Dodecyl thioglycolate;HSDB 2703;UNII-6NP1056251;EINECS 223-138-5;Acetic acid, 2-mercapto-, dodecyl ester;6NP1056251;Dodecylthioglykolat;dodecyl 2-mercaptoacetate;Dodecyl sulfanylacetate #;SCHEMBL36142;Thioglycollic acid dodecyl ester;DTXSID9063160;ACETIC ACID,MERCAPTO,DODECYL ESTER THIOGLYCOLIC ACID,DODECYL ESTER;AKOS024333970;ACETIC ACID, MERCAPTO-, DODECYL ESTER [HSDB];DODECYL ALCOHOL, MERCAPTOACETATE, HYDROCHLORIDE;Q27265206

Chemical Property of Acetic acid, mercapto-, dodecyl ester

Chemical Property:

• Vapor Pressure: 7.04E-05mmHg at 25°C
• Boiling Point: 343.4°C at 760 mmHg
• PKA: 7.96±0.10(Predicted)
• Flash Point: 199.5°C
• PSA: 65.10000
• Density: 0.939g/cm³
• LogP: 4.38030
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 260.18100131
• Heavy Atom Count: 17
• Complexity: 172

Purity/Quality:

99%, ^*data from raw suppliers

DODECYL MERCAPTOACETATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CCCCCCCCCCCCOC(=O)CS

Technology Process of Acetic acid, mercapto-, dodecyl ester

There total 1 articles about Acetic acid, mercapto-, dodecyl ester 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:

→ mercapto-acetic acid dodecyl ester (3746-39-2)

Guidance literature:

Thioglykolsaeure, laurylalkohol/H2SO4;

Reference yield: 90.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + mercapto-acetic acid dodecyl ester (3746-39-2) + 2-tert-Butyl-6-methylphenol (2219-82-1) → C26H44O3S

Guidance literature:

With diethylamine; In dimethyl sulfoxide; at 80 - 130 ℃;