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

• ChemBase ID: 139922
• Molecular Formular: C8H22O2Si2
• Molecular Mass: 206.43008
• Monoisotopic Mass: 206.11583301
• SMILES: C[Si](C)(C)OCCO[Si](C)(C)C
• Canonical SMILES: C[Si](OCCO[Si](C)(C)C)(C)C
• InChI: InChI=1S/C8H22O2Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h7-8H2,1-6H3
• InChIKey: JGWFUSVYECJQDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctane
• IUPAC Traditional name: 2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctane
• Synonyms: Ethylene glycol bis(trimethylsilyl ether); 1,2-Bis(trimethylsiloxy)ethane; 1,2-双(三甲基硅氧基)乙烷

Database IDs

• CAS Number: 7381-30-8
• EC Number: 230-950-3
• MDL Number: MFCD00009640
• Beilstein Number: 1744217
• PubChem SID: 24849222; 162234169; 24853524
• PubChem CID: 81858

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9622
• LogD (pH = 7.4): 2.9622
• Log P: 2.9622
• Molar Refractivity: 46.8054 cm^3
• Polarizability: 22.719975 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 165-166 °C(lit.)
• Flash Point: 123.8 °F; 51 °C
• Density: 0.842 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.403(lit.); n20/D 1.404

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 23-24/25
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• 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: ≥95.0% (GC); 98%
• Grade: purum
• Linear Formula: (CH3)3SiOCH2CH2OSi(CH3)3

DETAILS

Sigma Aldrich - 225800

Packaging
10, 50 g in glass bottle

Sigma Aldrich - 15232

Other Notes
Reagent for the smooth and selective kinetic acetalization of carbonyl compounds under aprotic conditions1,2,3,4