(octylsulfanyl)gold

• ChemBase ID: 142389
• Molecular Formular: C8H17AuS
• Molecular Mass: 342.25213
• Monoisotopic Mass: 342.07166454
• SMILES: CCCCCCCCS[Au]
• Canonical SMILES: CCCCCCCCS[Au]
• InChI: InChI=1S/C8H18S.Au/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;/q;+1/p-1
• InChIKey: NXXPCKKHXAOGCX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (octylsulfanyl)gold
• IUPAC Traditional name: (octylsulfanyl)gold
• Synonyms: Octylthiol functionalized gold nanoparticles; Octanethiol functionalized gold nanoparticles; 辛烷硫醇官能化金纳米粒子; 正辛硫醇官能化金纳米粒子

Database IDs

• MDL Number: MFCD07785480
• PubChem SID: 24884474; 162236619
• PubChem CID: 16218110

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.298
• LogD (pH = 7.4): 3.298
• Log P: 3.298
• Molar Refractivity: 45.8234 cm^3
• Polarizability: 25.112026 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solution
• Flash Point: 44.6 °F; 7 °C
• Density: 0.8737 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1294
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 63-11-38-43-48/20-65-67
• Safety Statements: 16-36/37-62
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H317-H336-H361d-H373
• GHS Precautionary statements: P210-P261-P280-P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1294 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 2 % (w/v) in toluene
• Particle Size: 2-4 nm (DLS)
• Description: nanoparticles

DETAILS

Sigma Aldrich - 660426

Features and Benefits
Useful for the self-assembly of gold structures for nanoelectronics.1
Packaging
5 mL in glass bottle