2-Methylundecane-2-thiol

Base Information

• Chemical Name: 2-Methylundecane-2-thiol
• CAS No.: 10059-13-9
• Molecular Formula: C12H26 S
• Molecular Weight: 202.404
• Hs Code.: 2930909090
• European Community (EC) Number: 233-191-6
• DSSTox Substance ID: DTXSID00143406
• Nikkaji Number: J99.672F
• Wikidata: Q83007255
• Mol file: 10059-13-9.mol

Synonyms:2-Methylundecane-2-thiol;10059-13-9;2-Undecanethiol, 2-methyl-;EINECS 233-191-6;tert-Dodecyl mercaptane;2-Nonyl-2-propanethiol;2-Methylundecyl-2-thiol;tertiary dodecyl mercaptan;2-methyl-2-undecanethiol;2-methyl-undecane-2-thiol;SCHEMBL21128;1,1-Dimethyl-decyl-mercaptan;SCHEMBL564605;DTXSID00143406;1,1-Dimethyldecyl hydrosulfide #;E76524;Q-201800

Chemical Property of 2-Methylundecane-2-thiol

Chemical Property:

• Vapor Pressure: 0.0234mmHg at 25°C
• Melting Point: -10.8°C (estimate)
• Refractive Index: 1.4503 (estimate)
• Boiling Point: 257.4°Cat760mmHg
• PKA: 11.38±0.10(Predicted)
• Flash Point: 93.9°C
• PSA: 38.80000
• Density: 0.84g/cm³
• LogP: 4.83550
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 202.17552200
• Heavy Atom Count: 13
• Complexity: 108

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(C)(C)S

Technology Process of 2-Methylundecane-2-thiol

There total 5 articles about 2-Methylundecane-2-thiol 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:

tert-dodecyl thioacetate → 2,3,3,4,4,5-hexamethyl-2-hexanethiol (10059-13-9)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 3h;

DOI:10.1021/jacs.7b02571

Reference yield:

→ 2,3,3,4,4,5-hexamethyl-2-hexanethiol (10059-13-9)

Guidance literature:

With hydrogen sulfide; sulfur; at 180 ℃;

DOI:10.1002/pol.1948.120030108

Reference yield:

2-methyl-undec-1-ene (18516-37-5) → 2,3,3,4,4,5-hexamethyl-2-hexanethiol (10059-13-9)

Guidance literature:

Multi-step reaction with 2 steps

1: indium(III) chloride / 1,2-dichloro-ethane / 2 h / 80 °C / Inert atmosphere

2: potassium carbonate / methanol / 3 h / 20 °C

With indium(III) chloride; potassium carbonate; In methanol; 1,2-dichloro-ethane;

DOI:10.1021/jacs.7b02571

upstream raw materials:

2-methyl-undec-1-ene

hydrogen sulfide

Refernces