tris(propan-2-yl)silanol

• ChemBase ID: 146875
• Molecular Formular: C9H22OSi
• Molecular Mass: 174.35588
• Monoisotopic Mass: 174.14399186
• SMILES: CC(C)[Si](C(C)C)(C(C)C)O
• Canonical SMILES: CC([Si](C(C)C)(C(C)C)O)C
• InChI: InChI=1S/C9H22OSi/c1-7(2)11(10,8(3)4)9(5)6/h7-10H,1-6H3
• InChIKey: MQNNNLJCDJBERF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yl)silanol
• IUPAC Traditional name: triisopropylsilanol
• Synonyms: Triisopropylsilanol; 三异丙基硅烷醇

Database IDs

• CAS Number: 17877-23-5
• MDL Number: MFCD01863576
• PubChem SID: 162241067; 24872983
• PubChem CID: 554410

CALCULATED PROPERTIES

• Acid pKa: 12.159176
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8976998
• LogD (pH = 7.4): 2.8976924
• Log P: 2.8977
• Molar Refractivity: 47.2403 cm^3
• Polarizability: 20.860632 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 196 °C/750 mmHg(lit.)
• Flash Point: 161.6 °F; 72 °C
• Density: 0.878 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.456(lit.)

Safety Information

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

Product Information

• Purity: 98%
• Linear Formula: [(CH3)2CH]3SiOH

DETAILS

Sigma Aldrich - 495565

Packaging
1, 10 g in glass bottle