triethoxy(octadecyl)silane

• ChemBase ID: 112843
• Molecular Formular: C24H52O3Si
• Molecular Mass: 416.75338
• Monoisotopic Mass: 416.36857206
• SMILES: CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C24H52O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25-6-2,26-7-3)27-8-4/h5-24H2,1-4H3
• InChIKey: FZMJEGJVKFTGMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(octadecyl)silane
• IUPAC Traditional name: triethoxy(octadecyl)silane
• Synonyms: OCTADECYLTRIETHOXYSILANE; Triethoxyoctadecylsilane; Octadecyltriethoxysilane; 正十八烷基三乙氧基硅烷

Database IDs

• CAS Number: 7399-00-0
• EC Number: 230-995-9
• MDL Number: MFCD00039875
• Beilstein Number: 7025163
• PubChem SID: 162097878
• PubChem CID: 81885

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 8.3845
• LogD (pH = 7.4): 8.3845
• Log P: 8.3845
• Molar Refractivity: 119.1232 cm^3
• Polarizability: 49.95181 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 165°C; 165-169°C/0.2mm
• Flash Point: 195°C(383°F)
• Density: 0.870; 0.92 g/ml
• Refractive Index: 1.4380

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%, n-isomer 85% min