16-Mercapto-1-hexadecanol

Base Information

• Chemical Name: 16-Mercapto-1-hexadecanol
• CAS No.: 114896-32-1
• Molecular Formula: C16H34OS
• Molecular Weight: 274.511
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30396084
• Nikkaji Number: J622.641H
• Mol file: 114896-32-1.mol

Synonyms:16-Mercapto-1-hexadecanol;114896-32-1;16-sulfanylhexadecan-1-ol;16-MERCAPTOHEXADECAN-1-OL;16-mercaptohexadecanol;1-Hexadecanol, 16-mercapto-;16-Mercaptohexadecan-l-ol;SCHEMBL944745;DTXSID30396084;GRUQGBJWKWOITP-UHFFFAOYSA-N;AKOS015856581;BS-19312;FT-0650653;J-003153

Chemical Property of 16-Mercapto-1-hexadecanol

Chemical Property:

• Vapor Pressure: 2.02E-07mmHg at 25°C
• Refractive Index: 1.474
• Boiling Point: 382.4 °C at 760 mmHg
• PKA: 10.49±0.10(Predicted)
• Flash Point: 185.1 °C
• PSA: 59.03000
• Density: 0.902 g/cm³
• LogP: 5.36990
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 274.23303688
• Heavy Atom Count: 18
• Complexity: 139

Purity/Quality:

98%Min ^*data from raw suppliers

16-Mercaptohexadecan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCCS)CCCCCCCO

Technology Process of 16-Mercapto-1-hexadecanol

There total 1 articles about 16-Mercapto-1-hexadecanol 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:

16-mercaptohexadecanoic acid (69839-68-5) → 16-mercapto-1-hexadecanol (114896-32-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/ja034719t

Reference yield: 95.0%

16-mercapto-1-hexadecanol (114896-32-1) + 1,3,2′,6′,2?,6?-hexa-N-(tert-butoxycarbonyl)-5″-O-(2,4,6-triisopropylbenzenesulfonyl)-neomycin (241820-93-9) → C69H126N6O25S

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; for 6h; Inert atmosphere;

DOI:10.1016/j.bmcl.2014.12.079

Reference yield:

16-mercapto-1-hexadecanol (114896-32-1) → bis(16-hydroxyhexadecyl)disulfide (112141-28-3)

Guidance literature:

With iodine; In methanol;

DOI:10.1021/ja034719t

upstream raw materials:

16-mercaptohexadecanoic acid

Downstream raw materials:

bis(16-hydroxyhexadecyl)disulfide

Refernces