4,4,7,7-tetraethoxy-3,8-dioxa-4,7-disiladecane

• ChemBase ID: 151167
• Molecular Formular: C14H34O6Si2
• Molecular Mass: 354.58716
• Monoisotopic Mass: 354.18939187
• SMILES: CCO[Si](CC[Si](OCC)(OCC)OCC)(OCC)OCC
• Canonical SMILES: CCO[Si](OCC)(OCC)CC[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C14H34O6Si2/c1-7-15-21(16-8-2,17-9-3)13-14-22(18-10-4,19-11-5)20-12-6/h7-14H2,1-6H3
• InChIKey: IZRJPHXTEXTLHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,7,7-tetraethoxy-3,8-dioxa-4,7-disiladecane
• IUPAC Traditional name: 4,4,7,7-tetraethoxy-3,8-dioxa-4,7-disiladecane
• Synonyms: 1,2-Bis(triethoxysilyl)ethane; 1,2-二(三乙氧基甲硅烷基)乙烷

Database IDs

• CAS Number: 16068-37-4
• EC Number: 240-212-2
• MDL Number: MFCD00239362
• PubChem SID: 162245324; 24868327
• PubChem CID: 85266

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.08
• LogD (pH = 7.4): 3.08
• Log P: 3.08
• Molar Refractivity: 79.7022 cm^3
• Polarizability: 36.611233 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 119 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.958 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.411(lit.)

Safety Information

• RTECS: JG7755000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-41
• Safety Statements: 26-36
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-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: 96%
• Linear Formula: [-CH2Si(OC2H5)3]2

DETAILS

Sigma Aldrich - 447250

Packaging
25 mL in poly bottle