2-Methylhexane-2-thiol

Base Information

Chemical Name:2-Methylhexane-2-thiol
CAS No.:1812-50-6
Molecular Formula:C7H16 S
Molecular Weight:132.27
Hs Code.:2930909090
European Community (EC) Number:217-324-5
UNII:H8D829NG8W
DSSTox Substance ID:DTXSID20171084
Nikkaji Number:J100.455G
Wikidata:Q83041133
Mol file:1812-50-6.mol

Synonyms:2-Methylhexane-2-thiol;1812-50-6;2-Methyl-2-hexanethiol;2-HEXANETHIOL, 2-METHYL-;EINECS 217-324-5;H8D829NG8W;tert-Heptyl mercaptan;UNII-H8D829NG8W;SCHEMBL317234;DTXSID20171084;1,1-Dimethylpentyl hydrosulfide #;AKOS006271531;FT-0727356

Suppliers and Price of 2-Methylhexane-2-thiol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 2-Methylhexane-2-thiol

Chemical Property:

Vapor Pressure:5.15mmHg at 25°C
Melting Point:-92.11°C (estimate)
Refractive Index:1.4325 (estimate)
Boiling Point:149.3°Cat760mmHg
Flash Point:34.1°C
PSA：38.80000
Density:0.836g/cm³
LogP:2.88500
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:132.09727168
Heavy Atom Count:8
Complexity:57.4

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(C)(C)S
Uses tert-Heptyl mercaptan is found to be one of the main components of squid aroma.

Technology Process of 2-Methylhexane-2-thiol

There total 5 articles about 2-Methylhexane-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:

: 917-64-6
methyl magnesium iodide

: 55130-99-9
pentanedithioate de S-methyle

: 1812-50-6
2-methylhexane-2-thiol

Guidance literature:: Multistep reaction; (i) , (ii) H₂O;

Reference yield:

: 1812-50-6
2-methylhexane-2-thiol

Guidance literature:

Reference yield:

: 625-23-0
2-methylhexan-2-ol

: 1812-50-6
2-methylhexane-2-thiol

Guidance literature:: Multi-step reaction with 3 steps

1.1: hydrogen bromide; lithium bromide / water / 20 °C / Inert atmosphere

2.1: zinc sulfide / dichloromethane / 2 h / 20 °C / Inert atmosphere

2.2: 10 h / Inert atmosphere; Reflux

3.1: lithium aluminium tetrahydride / diethyl ether / 2 h / 0 - 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; hydrogen bromide; zinc sulfide; lithium bromide; In diethyl ether; dichloromethane; water;
DOI:10.1021/jf506135c