2-{[tris(2-hydroxyethoxy)silyl]oxy}ethan-1-ol

• ChemBase ID: 137786
• Molecular Formular: C8H20O8Si
• Molecular Mass: 272.3251
• Monoisotopic Mass: 272.09274413
• SMILES: C(CO[Si](OCCO)(OCCO)OCCO)O
• Canonical SMILES: OCCO[Si](OCCO)(OCCO)OCCO
• InChI: InChI=1S/C8H20O8Si/c9-1-5-13-17(14-6-2-10,15-7-3-11)16-8-4-12/h9-12H,1-8H2
• InChIKey: URFIZJRFOOZIBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[tris(2-hydroxyethoxy)silyl]oxy}ethan-1-ol
• IUPAC Traditional name: 2-{[tris(2-hydroxyethoxy)silyl]oxy}ethanol
• Synonyms: Tetraglycolatosilane; Tetrakis(2-hydroxyethyl) orthosilicate solution; 四(2-羟基乙基)原硅酸 溶液

Database IDs

• CAS Number: 17622-94-5
• EC Number: 241-598-5
• MDL Number: MFCD01726752
• PubChem SID: 24871365; 162232047
• PubChem CID: 28650

CALCULATED PROPERTIES

• Acid pKa: 14.536221
• H Acceptors: 8
• H Donor: 4
• LogD (pH = 5.5): -2.6616
• LogD (pH = 7.4): -2.6616
• Log P: -2.6616
• Molar Refractivity: 53.3568 cm^3
• Polarizability: 23.9966 Å^3
• Polar Surface Area: 117.84 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 200 °C
• Density: 1.196 g/mL at 25 °C
• Refractive Index: n20/D 1.44

Safety Information

• RTECS: KW5800000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: 22-36/37/38-62-63
• Safety Statements: 53-26-36/37/39-45

Product Information

• Concentration: in ethylene glycol
• Linear Formula: Si(OCH2CH2OH)4