tetraoctylazanium oxidanide

• ChemBase ID: 152079
• Molecular Formular: C32H69NO
• Molecular Mass: 483.89636
• Monoisotopic Mass: 483.53791583
• SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[OH-]
• Canonical SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[OH-]
• InChI: InChI=1S/C32H68N.H2O/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H2/q+1;/p-1
• InChIKey: DCFYRBLFVWYBIJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraoctylazanium oxidanide
• IUPAC Traditional name: tetraoctylazanium oxidanide
• Synonyms: Tetraoctylammonium hydroxide solution; 四辛基氢氧化铵 溶液

Database IDs

• CAS Number: 17756-58-0
• MDL Number: MFCD00059257
• Beilstein Number: 7323584
• PubChem SID: 24889019; 162246224; 24889028
• PubChem CID: 10994503

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.436527
• LogD (pH = 7.4): 8.436527
• Log P: 8.436527
• Molar Refractivity: 165.0121 cm^3
• Polarizability: 61.286617 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F
• Refractive Index: n20/D 1.348

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3286
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-34-39/23/24/25
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301 + H311 + H331-H314-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3286 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~10% in methanol (T); ~20% in methanol (T)
• Grade: purum
• Antion Traces: bromide (Br-): ≤500 mg/kg
• Linear Formula: [CH3(CH2)7]4N(OH)

DETAILS

Sigma Aldrich - 87993

Other Notes
Very lipophilic phase-transfer agent; employed in a carbon dioxide optical sensor1
Packaging
10, 50 mL in poly bottle