tris[(2-methylbutan-2-yl)oxy]silanol

• ChemBase ID: 141243
• Molecular Formular: C15H34O4Si
• Molecular Mass: 306.51356
• Monoisotopic Mass: 306.2226361
• SMILES: CCC(C)(C)O[Si](O)(OC(C)(C)CC)OC(C)(C)CC
• Canonical SMILES: CCC(O[Si](OC(CC)(C)C)(OC(CC)(C)C)O)(C)C
• InChI: InChI=1S/C15H34O4Si/c1-10-13(4,5)17-20(16,18-14(6,7)11-2)19-15(8,9)12-3/h16H,10-12H2,1-9H3
• InChIKey: ORJFXWYTRPGGRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris[(2-methylbutan-2-yl)oxy]silanol
• IUPAC Traditional name: tris[(2-methylbutan-2-yl)oxy]silanol
• Synonyms: TPS; Tris(tert-pentoxy)silanol; 三(叔-五氧代)硅烷醇

Database IDs

• CAS Number: 17906-35-3
• MDL Number: MFCD03427135
• PubChem SID: 24879331; 162235478
• PubChem CID: 3702849

CALCULATED PROPERTIES

• Acid pKa: 6.9966073
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.47655
• LogD (pH = 7.4): 2.9480784
• Log P: 3.4901
• Molar Refractivity: 78.6941 cm^3
• Polarizability: 33.992924 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 96-99 °C/2-3 mmHg(lit.)
• Flash Point: 106 °C; 222.8 °F
• Density: 0.944 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3
• GHS Hazard statements: H413
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥99.99%
• Linear Formula: (CH3CH2C(CH3)2O)3SiOH

DETAILS

Sigma Aldrich - 697303

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
General description
Atomic number of base material: 14 Silicon
Packaging
25 g in ss cylinder
Protocols & Applications
Precursors Packaged for Depositions Systems

Sigma Aldrich - 553441

Packaging
5, 25 g in ampule