4,4,6,6-tetramethyl-3,5,7-trioxa-4,6-disilanonane

• ChemBase ID: 149861
• Molecular Formular: C8H22O3Si2
• Molecular Mass: 222.42948
• Monoisotopic Mass: 222.11074763
• SMILES: CCO[Si](C)(C)O[Si](C)(C)OCC
• Canonical SMILES: CCO[Si](O[Si](OCC)(C)C)(C)C
• InChI: InChI=1S/C8H22O3Si2/c1-7-9-12(3,4)11-13(5,6)10-8-2/h7-8H2,1-6H3
• InChIKey: NPOYZXWZANURMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,6,6-tetramethyl-3,5,7-trioxa-4,6-disilanonane
• IUPAC Traditional name: 4,4,6,6-tetramethyl-3,5,7-trioxa-4,6-disilanonane
• Synonyms: 1,3-Diethoxy-1,1,3,3-tetramethyldisiloxane; 1,3-二乙氧基-1,1,3,3-四甲基二硅氧烷

Database IDs

• CAS Number: 18420-09-2
• EC Number: 242-298-7
• MDL Number: MFCD00053754
• PubChem SID: 24871891; 162244023
• PubChem CID: 87635

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1804
• LogD (pH = 7.4): 1.1804
• Log P: 1.1804
• Molar Refractivity: 48.724 cm^3
• Polarizability: 23.437216 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 161 °C(lit.)
• Flash Point: 109.4 °F; 43 °C
• Density: 0.883 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.389(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: [C2H5OSi(CH3)2]2O

DETAILS

Sigma Aldrich - 483427

Packaging
25 mL in glass bottle