1,6-Hexanedithiol diacetate

Base Information

• Chemical Name: 1,6-Hexanedithiol diacetate
• CAS No.: 2678-29-7
• Molecular Formula: C10H18 O2 S2
• Molecular Weight: 234.384
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90181291
• Nikkaji Number: J55.343C
• Mol file: 2678-29-7.mol

Synonyms:1,6-Hexanedithiol diacetate;SD 4965;2678-29-7;1,6-Hexanedithiol, S,S'-diacetate;BRN 1776159;ACETIC ACID, THIO-, S,S'-HEXAMETHYLENE ESTER;Ethanethioic acid, S,S'-1,6-hexanediyl ester;4-02-00-00553 (Beilstein Handbook Reference);DTXSID90181291;C10H18O2S2;SD-4965

Chemical Property of 1,6-Hexanedithiol diacetate

Chemical Property:

• Boiling Point: 320.1oC at 760 mmHg
• Flash Point: 127.8oC
• PSA: 84.74000
• Density: 1.086g/cm3
• LogP: 3.10620
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 234.07482216
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

ACETIC ACID, THIO-, S,S'-HEXAMETHYLENE ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCCCCCCSC(=O)C

Technology Process of 1,6-Hexanedithiol diacetate

There total 3 articles about 1,6-Hexanedithiol diacetate 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:

1 ,6-dibromohexane (629-03-8) + sodium thioacetate (34832-35-4) → 1,6-bis-acetylsulfanyl-hexane (2678-29-7)

Guidance literature:

With ethanol;

Reference yield:

1,5-Hexadien (592-42-7) + thioacetic acid (507-09-5) → 1,6-bis-acetylsulfanyl-hexane (2678-29-7)

Guidance literature:

Reference yield:

1,6-dichlorohexane (2163-00-0) + potassium thioacetate (10387-40-3) → 1,6-bis-acetylsulfanyl-hexane (2678-29-7)

Guidance literature:

upstream raw materials:

1 ,6-dibromohexane

sodium thioacetate

1,5-Hexadien

thioacetic acid

Downstream raw materials:

1,6-dimercaptohexane

1,2-dithiacyclooctane

1,6-bis-cyclohexylmercapto-hexane

ethanol