1,8-Octanedithiol

Base Information

• Chemical Name: 1,8-Octanedithiol
• CAS No.: 1191-62-4
• Molecular Formula: C8H18S2
• Molecular Weight: 178.363
• Hs Code.: 29309090
• European Community (EC) Number: 214-738-8
• UNII: KH3W3161HS
• DSSTox Substance ID: DTXSID8047474
• Nikkaji Number: J86.719E
• Wikidata: Q27282247
• Metabolomics Workbench ID: 49000
• ChEMBL ID: CHEMBL3188161
• Mol file: 1191-62-4.mol

Synonyms:1,8-octanedithiol

Chemical Property of 1,8-Octanedithiol

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 0.9oC
• Refractive Index: n20/D 1.505(lit.)
• Boiling Point: 269.499 °C at 760 mmHg
• PKA: 10.19±0.10(Predicted)
• Flash Point: 101.106 °C
• PSA: 77.60000
• Density: 0.945g/cm³
• LogP: 3.18660
• Sensitive.: Air Sensitive
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 178.08499292
• Heavy Atom Count: 10
• Complexity: 47.2

Purity/Quality:

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

1,8-Octanedithiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-20/21/22
• Safety Statements: 36-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: C(CCCCS)CCCS
• Uses: OCT may be used as a processing additive that can functionalize the electrode layer to enhance the power efficiency of P3HT:PCBM solar cells. It may also be used to form a SAM on gold electrodes to enhance the electrochemical properties.

Technology Process of 1,8-Octanedithiol

There total 7 articles about 1,8-Octanedithiol 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: 88.0%

1,8-Octanediol (629-41-4) → octane-1,8-dithiol (1191-62-4)

Guidance literature:

1,8-Octanediol; With N-Bromosuccinimide; triphenylphosphine; In acetone; at -10 - 25 ℃;

With polymer supported hydrosulfide resin; In acetone; at 25 ℃; for 0.166667h;

Reference yield:

C8H16S2(2-)*2Na(1+) → octane-1,8-dithiol (1191-62-4)

Guidance literature:

With hydrogenchloride; In water;

Reference yield:

1,8-dibromooctane (4549-32-0) → octane-1,8-dithiol (1191-62-4)

Guidance literature:

With methanol; ammonium sulfide; at 80 - 90 ℃;

upstream raw materials:

1,8-dibromooctane

C₁₈H₃₄O₂S₂

1,8-Octanediol

1 ,6-dibromohexane

Downstream raw materials:

2,2'-[octane-1,8-diylbis(thio)]bis[3,5,6-tris(aziridin-1-yl)benzo-1,4-quinone]

Refernces

• 1、 -. "CERAMIDE DIMER, METHOD FOR THE PRODUCTION THEREOF, AND USE OF SAME". . . Retrieved 2018/09/12.
• 2、 Bandgar,Sadavarte. "One pot rapid synthesis of thiols from alcohols under mild conditions". . p. 908 - 910. Retrieved 2007/10/03.