methyltris({[tris(butan-2-yloxy)silyl]oxy})silane

• ChemBase ID: 145438
• Molecular Formular: C37H84O12Si4
• Molecular Mass: 833.39766
• Monoisotopic Mass: 832.50398426
• SMILES: CCC(C)O[Si](OC(C)CC)(OC(C)CC)O[Si](C)(O[Si](OC(C)CC)(OC(C)CC)OC(C)CC)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC
• Canonical SMILES: CCC(O[Si](O[Si](O[Si](OC(CC)C)(OC(CC)C)OC(CC)C)(O[Si](OC(CC)C)(OC(CC)C)OC(CC)C)C)(OC(CC)C)OC(CC)C)C
• InChI: InChI=1S/C37H84O12Si4/c1-20-29(10)38-51(39-30(11)21-2,40-31(12)22-3)47-50(19,48-52(41-32(13)23-4,42-33(14)24-5)43-34(15)25-6)49-53(44-35(16)26-7,45-36(17)27-8)46-37(18)28-9/h29-37H,20-28H2,1-19H3
• InChIKey: JTMGSJWZRADOSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyltris({[tris(butan-2-yloxy)silyl]oxy})silane
• IUPAC Traditional name: methyltris({[tris(sec-butoxy)silyl]oxy})silane
• Synonyms: Methyltris(tri-sec-butoxysilyloxy)silane; 甲基三(三仲丁氧基硅氧基)硅烷

Database IDs

• CAS Number: 60711-47-9
• MDL Number: MFCD00053885
• PubChem SID: 162239644; 24868984
• PubChem CID: 108495

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 12.2454
• LogD (pH = 7.4): 12.2454
• Log P: 12.2454
• Molar Refractivity: 196.0206 cm^3
• Polarizability: 88.99787 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 33
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 190 °C/1 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.962 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.419(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%
• Linear Formula: CH3Si[OSi[OCH(CH3)C2H5]3]3

DETAILS

Sigma Aldrich - 454869

Packaging
25, 100 mL in glass bottle