1-Undecanethiol

Base Information

• Chemical Name: 1-Undecanethiol
• CAS No.: 5332-52-5
• Molecular Formula: C11H24 S
• Molecular Weight: 188.378
• European Community (EC) Number: 628-713-8
• ICSC Number: 1621
• NSC Number: 4031
• UN Number: 1228
• UNII: YY1144Q77A
• DSSTox Substance ID: DTXSID4074564
• Nikkaji Number: J97.157J
• Wikidata: Q20964114
• Mol file: 5332-52-5.mol

Synonyms:1-undecanethiol

Chemical Property of 1-Undecanethiol

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.0227mmHg at 25°C
• Melting Point: -3 C
• Refractive Index: n20/D 1.459(lit.)
• Boiling Point: 258°Cat760mmHg
• PKA: 10.50±0.10(Predicted)
• Flash Point: 93.9°C
• Density: 0.84g/cm³
• Water Solubility.: Insoluble in water
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 188.15987194
• Heavy Atom Count: 12
• Complexity: 71.4
• Transport DOT Label: Flammable Liquid Poison

Purity/Quality:

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

1-Undecanethiol >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: CCCCCCCCCCCS
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract.
• Uses: UDT can be used to functionalize polycarbonate filter membrane for immunological experiments which can further be used in the fabrication of plasmonic flow through biosensor based applications. SAM of UDT can be used in the colloidal gold enhanced immunoassay. It may be used to form SAM on quartz crystal microbalance (QCM) gold electrodes which can be used as adhesive intermediate layers.

Technology Process of 1-Undecanethiol

There total 3 articles about 1-Undecanethiol 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:

S-undecyl ethanethioate (2432-35-1) → Undecane-1-thiol (5332-52-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1002/anie.200454245

Reference yield:

bromoundecane (693-67-4) → Undecane-1-thiol (5332-52-5)

Guidance literature:

With methanol; sodium disulfide; Reduktion des entstandenen Disulfids mit Zinkstaub in heisser verduennter H₂SO₄;

Reference yield:

bromoundecane (693-67-4) + thiourea (17356-08-0) → Undecane-1-thiol (5332-52-5)

Guidance literature:

With water; Zersetzen des Isothiuroniumsalzes mit heisser starker KOH oder mit waessrig-alkoholischer NaOH;

upstream raw materials:

bromoundecane

thiourea

S-undecyl ethanethioate

Downstream raw materials:

n-Undecylthiomyristat

n-Undecylthiopalmitat

(E)-2-azido-2,4,5,6-tetradeoxy-1,3-bis-O-(4-methoxybenzyl)-6-(undecylsulfanyl)-D-erythro-hex-4-enitol

1-undecanesulfonic acid

Refernces