2,4,6-triethyl-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane

• ChemBase ID: 149796
• Molecular Formular: C9H24O3Si3
• Molecular Mass: 264.54156
• Monoisotopic Mass: 264.10332422
• SMILES: CC[Si]1(O[Si](O[Si](O1)(C)CC)(C)CC)C
• Canonical SMILES: CC[Si]1(C)O[Si](C)(CC)O[Si](O1)(C)CC
• InChI: InChI=1S/C9H24O3Si3/c1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13/h7-9H2,1-6H3
• InChIKey: DGLJYEKNUTVPAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-triethyl-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
• IUPAC Traditional name: 2,4,6-triethyl-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
• Synonyms: 2,4,6-Triethyl-2,4,6-trimethylcyclotrisiloxane; 2,4,6-三乙基-2,4,6-三甲基环三硅氧烷

Database IDs

• CAS Number: 15901-49-2
• MDL Number: MFCD03093966
• PubChem SID: 24878447; 162243958
• PubChem CID: 519190

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7961
• LogD (pH = 7.4): 1.7961
• Log P: 1.7961
• Molar Refractivity: 53.7216 cm^3
• Polarizability: 27.49534 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 192-193 °C(lit.)
• Flash Point: 167 °F; 75 °C
• Density: 0.939 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.412(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%
• Empirical Formula (Hill Notation): C9H24O3Si3

DETAILS

Sigma Aldrich - 540196

Packaging
1 mL in glass bottle