hexyltrimethoxysilane

• ChemBase ID: 287413
• Molecular Formular: C9H22O3Si
• Molecular Mass: 206.35468
• Monoisotopic Mass: 206.1338211
• SMILES: CO[Si](OC)(CCCCCC)OC
• Canonical SMILES: CCCCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C9H22O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-9H2,1-4H3
• InChIKey: CZWLNMOIEMTDJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexyltrimethoxysilane
• IUPAC Traditional name: hexyltrimethoxysilane
• Synonyms: Hexyltrimethoxysilane; n-Hexyltrimethoxysilane; 正己基三甲氧基硅烷

Database IDs

• CAS Number: 3069-19-0
• EC Number: 221-331-9
• MDL Number: MFCD00039801
• Beilstein Number: 2347551
• PubChem SID: 180672944
• PubChem CID: 76478

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6014
• LogD (pH = 7.4): 2.6014
• Log P: 2.6014
• Molar Refractivity: 49.6654 cm^3
• Polarizability: 22.330233 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 202-203°C
• Flash Point: 62°C(143°F)
• Density: 0.920
• Refractive Index: 1.4070

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A

Product Information

• Purity: 95+%; 97%