2,2,6,6-tetramethyl-4-phenyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane

• ChemBase ID: 156837
• Molecular Formular: C15H32O3Si4
• Molecular Mass: 372.75478
• Monoisotopic Mass: 372.14285101
• SMILES: C[Si](C)(C)O[Si](c1ccccc1)(O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](O[Si](c1ccccc1)(O[Si](C)(C)C)O[Si](C)(C)C)(C)C
• InChI: InChI=1S/C15H32O3Si4/c1-19(2,3)16-22(17-20(4,5)6,18-21(7,8)9)15-13-11-10-12-14-15/h10-14H,1-9H3
• InChIKey: LINXHFKHZLOLEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-4-phenyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane
• IUPAC Traditional name: 2,2,6,6-tetramethyl-4-phenyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane
• Synonyms: Phenyl-tris(trimethylsiloxy)silane; 苯基三(三甲基硅氧烷基)硅烷

Database IDs

• CAS Number: 2116-84-9
• EC Number: 218-320-6
• MDL Number: MFCD00053665
• Beilstein Number: 2948443
• PubChem SID: 24887435; 162250974
• PubChem CID: 62427

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.5957
• LogD (pH = 7.4): 6.5957
• Log P: 6.5957
• Molar Refractivity: 81.5458 cm^3
• Polarizability: 40.703358 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 264 °C(lit.)
• Flash Point: 127 °C; 260.6 °F
• Density: 0.921 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.437

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• 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: ≥95.0% (GC)
• Empirical Formula (Hill Notation): C15H32O3Si4