2-Hexanethiol

Base Information

• Chemical Name: 2-Hexanethiol
• CAS No.: 1679-06-7
• Molecular Formula: C6H14S
• Molecular Weight: 118.243
• Hs Code.: 2930909090
• Mol file: 1679-06-7.mol

Synonyms:Hexan-2-thiol;1-Methylpentyl hydrosulfide;2-Hexanthiol;sec-hexyl mercaptan;Hexanthiol-(2);2-Mercapto-hexan;2-Hexanethiol;

Chemical Property of 2-Hexanethiol

Chemical Property:

• Vapor Pressure: 7.5mmHg at 25°C
• Melting Point: -147°C
• Refractive Index: 1.4426
• Boiling Point: 140.9oC at 760 mmHg
• PKA: 10.94±0.10(Predicted)
• Flash Point: 29.5oC
• PSA: 38.80000
• Density: 0.832g/cm3
• LogP: 2.49490

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-Hexanethiol

There total 3 articles about 2-Hexanethiol 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:

hydrogenchloride (7647-01-0,15364-23-5) + [(η5-C5Me5)IrCl]2(μ-H)(μ-S-2-hexyl) (1151942-86-7,1152169-21-5) + hydrogen sulfide (7783-06-4) → 2,5-DIMETHYLTHIOPHENE (638-02-8) + 2-hexanethiol (1679-06-7)

Guidance literature:

In toluene; by a react. of Ir-contg. compd. with H2S and HCl in toluene; detected by EI GC/MS;

DOI:10.1021/om900114m

Reference yield:

1-hexene (592-41-6,25067-06-5) + n-butanethiol (109-79-5) → 2-hexanethiol (1679-06-7) + Hexanethiol (111-31-9) + Dibutyl sulfide (544-40-1) + hexyl sulfide (6294-31-1) + butyl hexyl sulfide (16967-04-7) + 2-(hexylthio)hexane + sec-Butyl hexyl sulfide

Guidance literature:

With hydrogen; In hexane; at 110 ℃; under 7500.75 Torr; Flow reactor;

DOI:10.1016/j.molcata.2014.09.034

Reference yield:

2-Methylpiperidin (109-05-7,3000-79-1) → 2-ethyltetrahydrothiophene (1551-32-2) + 2,5-dimethylthiacyclopentane (1551-31-1,5161-13-7,5161-14-8,57774-92-2) + 2-methyl-thiane (5161-16-0) + 1-hexene (592-41-6,25067-06-5) + 2-hexanethiol (1679-06-7) + trans-3-Hexene (13269-52-8)

Guidance literature:

With hydrogen sulfide; hydrogen; sulphidized nickel-tungsten; at 300 ℃; for 6h; under 35252.8 Torr; Product distribution;

upstream raw materials:

2-Methylpiperidin

hydrogenchloride

[(η5-C5Me5)IrCl]2(μ-H)(μ-S-2-hexyl)

hydrogen sulfide

Refernces

• 1、 Grochowski, Matthew R.,Brennessel, William W.,Jones, William D.. "Carbon-sulfur bond cleavage of methyl-substituted thiophenes with iridium(III)". . p. 2661 - 2667. Retrieved 2009/09/26.