1-Octadecanethiol

Base Information

• Chemical Name: 1-Octadecanethiol
• CAS No.: 2885-00-9
• Molecular Formula: C18H38S
• Molecular Weight: 286.566
• Hs Code.: 29309070
• European Community (EC) Number: 220-744-1
• ICSC Number: 1622
• NSC Number: 11886,5545
• UN Number: 1228
• DSSTox Substance ID: DTXSID0062686
• Nikkaji Number: J97.163D
• Wikidata: Q20966417
• Mol file: 2885-00-9.mol

Synonyms:1-octadecanethiol;n-octadecyl mercaptan;octadecylthiol

Chemical Property of 1-Octadecanethiol

Chemical Property:

• Appearance/Colour: white powder with an extremely unpleasant smell
• Vapor Pressure: 4.59E-05mmHg at 25°C
• Melting Point: 30-33 °C(lit.)
• Refractive Index: n20/D 1.3610
• Boiling Point: 360.502 °C at 760 mmHg
• PKA: 10.49±0.10(Predicted)
• Flash Point: 185 °C
• PSA: 38.80000
• Density: 0.847 g/cm³
• LogP: 7.17770
• Storage Temp.: Store below +30°C.
• Water Solubility.: Insoluble
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 286.26942239
• Heavy Atom Count: 19
• Complexity: 145
• Transport DOT Label: Flammable Liquid Poison

Purity/Quality:

98.5%, ^*data from raw suppliers

Octadecanethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: F,Xi
• Statements: 36/37/38
• Safety Statements: 7-16-37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: CCCCCCCCCCCCCCCCCCS
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is mildly irritating to the eyes.
• Uses: Organic intermediate, synthetic rubber processing. 1-Octadecanethiol (ODT) is used to deposit thiolated molecules onto the surface of gold substrates, such as SAMs on gold quartz crystal resonators, on the tip of atomic force microscope probes, capacitive sensors. ODT is used in the surface modification of gold nanoparticle (AuNPs)/Nickel (Ni) foam conjugate for the preparation of a 3D surface enhanced Raman spectroscopy(SERS) substrate for the detection of organic pollutants. It may also be used enhance the superhydrophobic properties for different materials like nano-sized copper films, graphene and silica for different applications like mercury detection and electrochemical analysis.

Technology Process of 1-Octadecanethiol

There total 15 articles about 1-Octadecanethiol 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%

→ Octadecanethiol (2885-00-9)

Guidance literature:

With methanol; sodium hydroxide; at 20 ℃;

Reference yield: 92.0%

3-(2-aminophenyl)-2-(octadecylthio)-4-methylthiazol-3-ium iodide (1210046-98-2) → 3-methyl-thiazolo[3,2-a]benzimidazolium iodide + Octadecanethiol (2885-00-9)

Guidance literature:

With methanol; for 12h; Reflux;

DOI:10.3390/molecules14114634

Reference yield: 89.0%

1,3,5-trimethoxy-2-octadecylsulfanylmethyl-benzene → Octadecanethiol (2885-00-9)

Guidance literature:

With L-Cysteine; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.1016/S0040-4039(02)00808-0

upstream raw materials:

1-octadecanol

cis-Octadecenoic acid

octadec-1-ene

S-n-octadecylisothiuronium bromide

Downstream raw materials:

n-Octadecylthiolaurat

dioctadecyl disulphide

octadecane-1-sulfonic acid

n-Octadecylthiomyristat