3,3,6,6-tetramethoxy-2,7-dioxa-3,6-disilaoctane

• ChemBase ID: 139026
• Molecular Formular: C8H22O6Si2
• Molecular Mass: 270.42768
• Monoisotopic Mass: 270.09549149
• SMILES: CO[Si](CC[Si](OC)(OC)OC)(OC)OC
• Canonical SMILES: CO[Si](CC[Si](OC)(OC)OC)(OC)OC
• InChI: InChI=1S/C8H22O6Si2/c1-9-15(10-2,11-3)7-8-16(12-4,13-5)14-6/h7-8H2,1-6H3
• InChIKey: JCGDCINCKDQXDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,6,6-tetramethoxy-2,7-dioxa-3,6-disilaoctane
• IUPAC Traditional name: hexamethoxydisilylethane
• Synonyms: 1,2-Bis(trimethoxysilyl)ethane; 3,3,6,6-Tetramethoxy-2,7-dioxa-3,6-disilaoctane; 1,2-二(三甲氧基甲硅烷基)乙烷

Database IDs

• CAS Number: 18406-41-2
• EC Number: 242-285-6
• MDL Number: MFCD00053672
• PubChem SID: 162233277; 24868326
• PubChem CID: 87627

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.025
• LogD (pH = 7.4): 1.025
• Log P: 1.025
• Molar Refractivity: 51.2106 cm^3
• Polarizability: 25.66443 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 103-104 °C/5 mmHg(lit.)
• Flash Point: 109 °C; 228.2 °F
• Density: 1.073 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.409(lit.)

Safety Information

• RTECS: JG7873000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 3382
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 26
• Safety Statements: 23-36/37-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H330
• GHS Precautionary statements: P260-P284-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3382 6.1/PG 1

Product Information

• Purity: 95+%; 96%
• Linear Formula: [-CH2Si(OCH3)3]2

DETAILS

Sigma Aldrich - 447242

Packaging
5, 25 mL in glass bottle