Acetic acid, mercapto-, octyl ester

Base Information

• Chemical Name: Acetic acid, mercapto-, octyl ester
• CAS No.: 7664-80-4
• Molecular Formula: C10H20 O2 S
• Molecular Weight: 204.334
• Hs Code.: 2930909090
• European Community (EC) Number: 231-637-4
• DSSTox Substance ID: DTXSID9064764
• Nikkaji Number: J150.357J
• Wikidata: Q81991807
• Mol file: 7664-80-4.mol

Synonyms:n-Octyl Thioglycolate;7664-80-4;Octyl thioglycolate;octyl 2-sulfanylacetate;Thioglycolic Acid n-Octyl Ester;Acetic acid, mercapto-, octyl ester;Octyl 2-mercaptoacetate;Octyl mercaptoacetate;EINECS 231-637-4;Octylthioglykolate;Octyl2-mercaptoacetate;n-Octyl Mercaptoacetate;Octyl sulfanylacetate #;SCHEMBL61031;Thioglycollic acid octyl ester;DTXSID9064764;mercapto-acetic acid octyl ester;Mercaptoacetic Acid n-Octyl Ester;MFCD00053518;Acetic acid, 2-mercapto-, octyl ester;FT-0700785;T0627;D92371;A917403

Chemical Property of Acetic acid, mercapto-, octyl ester

Chemical Property:

• Vapor Pressure: 0.00479mmHg at 25°C
• Refractive Index: 1.4580 to 1.4600
• Boiling Point: 124 °C / 4mmHg
• Flash Point: 144.7°C
• PSA: 65.10000
• Density: 0.97
• LogP: 2.81990
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 204.11840105
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

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

n-Octyl Thioglycolate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC(=O)CS

Technology Process of Acetic acid, mercapto-, octyl ester

There total 2 articles about Acetic acid, mercapto-, octyl 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:

octanol (111-87-5) + mercaptoacetic acid (68-11-1) → thioglycolate n-octyl ester (7664-80-4)

Guidance literature:

With toluene-4-sulfonic acid; benzene;

Reference yield:

→ thioglycolate n-octyl ester (7664-80-4)

Guidance literature:

Thioglycolsaeure, Octanol, HCl;

Reference yield:

thioglycolate n-octyl ester (7664-80-4) + N-(2,2,2-trichloro-1-hydroxy-ethyl)-salicylamide (2674-50-2) → N-(1-n-octyloxycarbonylmethylthio-2,2,2-trichloroethyl)-2-hydroxybenzamide

Guidance literature:

With thionyl chloride; In tetrachloromethane; N,N-dimethyl-formamide; acetone;

upstream raw materials:

octanol

mercaptoacetic acid

Downstream raw materials:

Octylmercaptoacetatmandelat