Ethanol, 2-decylthio-

Base Information

• Chemical Name: Ethanol, 2-decylthio-
• CAS No.: 41891-88-7
• Molecular Formula: C12H26 O S
• Molecular Weight: 218.404
• European Community (EC) Number: 255-576-8
• NSC Number: 84188
• UNII: N56NUV4YDP
• DSSTox Substance ID: DTXSID10194666
• Nikkaji Number: J78.148G
• Wikidata: Q83067463
• Mol file: 41891-88-7.mol

Synonyms:41891-88-7;2-(Decylthio)ethanol;2-Decylthioethanol;Ethanol, 2-decylthio-;Ethanol, 2-(decylthio)-;Decyl 2-hydroxyethyl sulfide;2-Decylthio-ethanol;2-N-Decylthioethanol;2-Hydroxyethyl decyl sulfide;n-DECYL 2-HYDROXYETHYL SULFIDE;2-(decylthio)ethan-1-ol;EINECS 255-576-8;NSC 84188;N56NUV4YDP;BRN 1849711;NSC-84188;2-decylsulfanylethanol;2-(decylsulfanyl)ethanol;C12H26OS;UNII-N56NUV4YDP;SCHEMBL388197;WLN: Q2S10;DTXSID10194666;NSC84188;2-(DECYLSULFANYL)ETHAN-1-OL;STK675269;AKOS001748750;LS-66636;CS-0364796

Chemical Property of Ethanol, 2-decylthio-

Chemical Property:

• Vapor Pressure: 2.04E-05mmHg at 25°C
• Boiling Point: 323.6°Cat760mmHg
• Flash Point: 157.6°C
• PSA: 45.53000
• Density: 0.917g/cm³
• LogP: 3.85260
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 218.17043662
• Heavy Atom Count: 14
• Complexity: 96.3

Purity/Quality:

99% ^*data from raw suppliers

2-(DECYLSULFANYL)ETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCSCCO

Technology Process of Ethanol, 2-decylthio-

There total 8 articles about Ethanol, 2-decylthio- 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%

1-bromo dodecane (112-29-8) + 2-hydroxyethanethiol (60-24-2) → 2-Decylthio-1-ethanol (41891-88-7)

Guidance literature:

With N-cyclohexyl-cyclohexanamine; In N,N-dimethyl-formamide; at 20 ℃; for 15h;

DOI:10.1039/c39950000779

Reference yield: 96.0%

2-hydroxyethanethiol (60-24-2) → 2-Decylthio-1-ethanol (41891-88-7)

Guidance literature:

With caustic alkali; In butan-1-ol; at 120 ℃; for 6h;

DOI:10.1007/BF00949956

Reference yield: 91.0%

decylthiol (143-10-2) + 2-chloro-ethanol (107-07-3) → 2-Decylthio-1-ethanol (41891-88-7)

Guidance literature:

With sodium hydroxide; for 4h; Heating;

DOI:10.1007/BF00770450

upstream raw materials:

decylthiol

2-chloro-ethanol

oxirane

1-bromo dodecane

Downstream raw materials:

2-(decane-1-sulfinyl)-ethanol

1-decanesulfonic acid

Refernces

• 1、 Mansueto, Markus,Kre?, Katharina Christina,Laschat, Sabine. "Sulfur makes the difference: Synthesis and mesomorphic properties of novel thioether-functionalized imidazolium ionic liquid crystals". . p. 6258 - 6264. Retrieved 2015/03/30.
• 2、 Chlebicki, Jan,Cichacz, Zbigniew. "REACTIONS OF OXIRANES WITH ALKYLTHIOLS". . p. 485 - 494. Retrieved 2007/10/02.