triethoxy(hexyl)silane

• ChemBase ID: 302464
• Molecular Formular: C12H28O3Si
• Molecular Mass: 248.43442
• Monoisotopic Mass: 248.18077129
• SMILES: CCCCCC[Si](OCC)(OCC)OCC
• Canonical SMILES: CCCCCC[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C12H28O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h5-12H2,1-4H3
• InChIKey: WUMSTCDLAYQDNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(hexyl)silane
• IUPAC Traditional name: triethoxy(hexyl)silane
• Synonyms: n-Hexyltriethoxysilane; 正己基三乙氧基硅烷

Database IDs

• CAS Number: 18166-37-5
• EC Number: 000-000-0
• MDL Number: MFCD00087744
• Beilstein Number: 1757895

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6289
• LogD (pH = 7.4): 3.6289
• Log P: 3.6289
• Molar Refractivity: 63.9112 cm^3
• Polarizability: 27.842854 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 115°C/18mm
• Flash Point: 95°C(203°F)
• Density: 0.860

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 23-26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%