4-sulfanylbutan-1-ol

• ChemBase ID: 145415
• Molecular Formular: C4H10OS
• Molecular Mass: 106.1866
• Monoisotopic Mass: 106.04523594
• SMILES: C(CCS)CO
• Canonical SMILES: OCCCCS
• InChI: InChI=1S/C4H10OS/c5-3-1-2-4-6/h5-6H,1-4H2
• InChIKey: NEJMTSWXTZREOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-sulfanylbutan-1-ol
• IUPAC Traditional name: 4-sulfanylbutan-1-ol
• Synonyms: 4-Mercapto-1-butanol; 4-巯基-1-丁醇

Database IDs

• CAS Number: 14970-83-3
• MDL Number: MFCD00039660
• Beilstein Number: 1731412
• PubChem SID: 162239621; 24868659
• PubChem CID: 548261

CALCULATED PROPERTIES

• Acid pKa: 10.200066
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 0.6200047
• LogD (pH = 7.4): 0.6193746
• Log P: 0.6200127
• Molar Refractivity: 30.0922 cm^3
• Polarizability: 11.7721405 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 102-103 °C/20 mmHg(lit.)
• Flash Point: 201.2 °F; 94 °C
• Density: 1.03 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.494; n20/D 1.494(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 95%
• Grade: purum
• Linear Formula: HS(CH2)4OH

DETAILS

Sigma Aldrich - 451878

Application
Used to form a hydrophilic sparse ionic monolayer to protected metal nanoparticles to create Highly Concentrated Nano-Au and Nano-Ag "Inks" that can be Sintered to Near-Bulk Conductivity at 150 °C.1
Packaging
1, 5 g in glass bottle