2,4,4,6,6,8-hexamethyl-3,5,7-trioxa-2,4,6,8-tetrasilanonane

• ChemBase ID: 139226
• Molecular Formular: C8H26O3Si4
• Molecular Mass: 282.63224
• Monoisotopic Mass: 282.09590082
• SMILES: C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C
• Canonical SMILES: C[SiH](O[Si](O[Si](O[SiH](C)C)(C)C)(C)C)C
• InChI: InChI=1S/C8H26O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h12-13H,1-8H3
• InChIKey: MMAKNNYIZYDWTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,4,6,6,8-hexamethyl-3,5,7-trioxa-2,4,6,8-tetrasilanonane
• IUPAC Traditional name: 2,4,4,6,6,8-hexamethyl-3,5,7-trioxa-2,4,6,8-tetrasilanonane
• Synonyms: 1,1,3,3,5,5,7,7-Octamethyltetrasiloxane; 1,1,3,3,5,5,7,7-八甲基四硅氧烷

Database IDs

• CAS Number: 1000-05-1
• EC Number: 213-669-0
• MDL Number: MFCD00039789
• Beilstein Number: 1770063
• PubChem SID: 24886728; 162233474
• PubChem CID: 6328651

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1968
• LogD (pH = 7.4): 0.1968
• Log P: 0.1968
• Molar Refractivity: 52.5538 cm^3
• Polarizability: 29.321543 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 169 °C(lit.)
• Flash Point: 172.4 °F; 78 °C
• Density: 0.862 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.388(lit.)

Safety Information

• RTECS: XF3902000
• 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: ≥85% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C8H26O3Si4