8-Mercapto-1-octanol

Base Information

• Chemical Name: 8-Mercapto-1-octanol
• CAS No.: 33065-54-2
• Molecular Formula: C₈H₁₈OS
• Molecular Weight: 162.296
• European Community (EC) Number: 624-288-8
• DSSTox Substance ID: DTXSID80452927
• Nikkaji Number: J1.327.653F
• Mol file: 33065-54-2.mol

Synonyms:8-MERCAPTO-1-OCTANOL;33065-54-2;8-sulfanyloctan-1-ol;8-Hydroxy-1-octanethiol;1-Octanol, 8-mercapto-;8-mercaptooctanol;SCHEMBL63157;8-Mercapto-1-octanol, 98%;DTXSID80452927;AKOS006280747;J-019000

Chemical Property of 8-Mercapto-1-octanol

Chemical Property:

• Refractive Index: n20/D1.484
• Boiling Point: 249.6±23.0 °C(Predicted)
• PKA: 10.49±0.10(Predicted)
• PSA: 59.03000
• Density: 0.930 g/mL at 25 °C
• LogP: 2.24910
• Storage Temp.: ?20°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 162.10783637
• Heavy Atom Count: 10
• Complexity: 57.2

Purity/Quality:

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

8-Mercapto-1-octanol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCS)CCCO

Technology Process of 8-Mercapto-1-octanol

There total 9 articles about 8-Mercapto-1-octanol 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: 100.0%

S-(8-hydroxyoctyl) thioacetate (176753-25-6) → 8-mercapto-1-octanol (33065-54-2)

Guidance literature:

With hydrogenchloride; methanol; at 0 - 20 ℃;

DOI:10.1021/ja973166h

Reference yield: 69.0%

C8H18N2OS*BrH → 8-mercapto-1-octanol (33065-54-2)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h;

DOI:10.1016/j.ejmech.2014.10.033

Reference yield: 67.0%

2-(8-Hydroxy-octyl)-isothiourea; hydrobromide → 8-mercapto-1-octanol (33065-54-2)

Guidance literature:

With sodium hydroxide; for 2h; Heating;

DOI:10.1080/00304949609356537

upstream raw materials:

S-(8-hydroxyoctyl) thioacetate

8-bromooctanol

ethanol

C₁₁H₂₀BrClO₂

Refernces

• 1、 Magee,Mayo,Silk,Beattie. "Synthesis of (3E)-dodecen-12-olide, a potential pheromone component of the emerald ash borer". . p. 1368 - 1377. Retrieved 2013/05/22.
• 2、 Iglesias, Luis E.,Baldessari, Alicia,Gros, Eduardo G.. "Simple procedures for the preparation of α,ω,-hydroxyalkanethiols". . p. 319 - 324. Retrieved 2007/10/03.