1-Tetradecanethiol

Base Information

• Chemical Name: 1-Tetradecanethiol
• CAS No.: 2079-95-0
• Deprecated CAS: 902459-03-4
• Molecular Formula: C14H30S
• Molecular Weight: 230.458
• Hs Code.: 29309090
• European Community (EC) Number: 218-209-2
• NSC Number: 57865
• UNII: APY3P7S1XM
• DSSTox Substance ID: DTXSID7062166
• Nikkaji Number: J97.159F
• Wikidata: Q72504852
• Mol file: 2079-95-0.mol

Synonyms:1-Tetradecanethiol;2079-95-0;tetradecane-1-thiol;Myristyl mercaptan;Tetradecanethiol;n-Tetradecyl mercaptan;Tetradecyl mercaptan;1-Mercaptotetradecane;n-tetradecylmercaptan;APY3P7S1XM;EINECS 218-209-2;NSC 57865;NSC-57865;AI3-15913;MFCD00022099;Tetradecanethiol-(1);UNII-APY3P7S1XM;SCHEMBL51303;DTXSID7062166;NSC57865;AKOS015897645;1-Tetradecanethiol, >=98.0% (GC);AS-76487;FT-0653688;T0082;D92299;A814925;J-505152

Chemical Property of 1-Tetradecanethiol

Chemical Property:

• Vapor Pressure: 0.00135mmHg at 25°C
• Melting Point: 6-7 °C
• Refractive Index: n20/D 1.461
• Boiling Point: 176-180 °C 22mm
• PKA: 10.49±0.10(Predicted)
• Flash Point: 120.9 °C
• PSA: 38.80000
• Density: 0.846 g/cm³
• LogP: 5.61730
• Sensitive.: Air Sensitive
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 230.20682213
• Heavy Atom Count: 15
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

1-Tetradecanethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41-43
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: CCCCCCCCCCCCCCS
• Uses: TDT is used as a self-assembled monolayer (SAM) on gold nanoparticle(AuNP) based electrodes for bi-enzymer glucose biosensors. The surface modification was done by soaking the electrodes in TDT solution.

Technology Process of 1-Tetradecanethiol

There total 7 articles about 1-Tetradecanethiol 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: 98.0%

S-tetradecyl thioacetate (90031-26-8) → 1-tetradecanethiol (2079-95-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 23 ℃;

DOI:10.1021/jm0100741

Reference yield:

(E)-7-tetradecene (41446-63-3) → 1-tetradecanethiol (2079-95-0)

Guidance literature:

With boron trifluoride;

Reference yield:

1-Bromotetradecane (112-71-0) → 1-tetradecanethiol (2079-95-0)

Guidance literature:

With ethanol; potassium hydrosulfide;

DOI:10.1021/ja01291a021

upstream raw materials:

1-Bromotetradecane

bis(tetradecyl)disulfide

S-tetradecyl thioacetate

1-Tetradecanol

Downstream raw materials:

trithioantimonous acid tritetradecyl ester

methyl (R)-2-[((tetradecylthio)carbonyl)acetyloxy]-3-triphenylmethyloxypropionate

tetradecylthioacetic Acid