2,2,7,7-tetramethyl-4-[(trimethylsilyl)oxy]-3,6-dioxa-2,7-disilaoct-4-ene

• ChemBase ID: 146359
• Molecular Formular: C11H28O3Si3
• Molecular Mass: 292.59472
• Monoisotopic Mass: 292.13462435
• SMILES: C[Si](C)(C)OC=C(O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](OC=C(O[Si](C)(C)C)O[Si](C)(C)C)(C)C
• InChI: InChI=1S/C11H28O3Si3/c1-15(2,3)12-10-11(13-16(4,5)6)14-17(7,8)9/h10H,1-9H3
• InChIKey: FCZGHPGTZRTDNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,7,7-tetramethyl-4-[(trimethylsilyl)oxy]-3,6-dioxa-2,7-disilaoct-4-ene
• IUPAC Traditional name: 2,2,7,7-tetramethyl-4-[(trimethylsilyl)oxy]-3,6-dioxa-2,7-disilaoct-4-ene
• Synonyms: Tris(trimethylsiloxy)ethylene; 三(三甲基硅氧基)乙烯

Database IDs

• CAS Number: 69097-20-7
• EC Number: 273-864-1
• MDL Number: MFCD00011641
• Beilstein Number: 1962905
• PubChem SID: 162240557; 24854082; 24889751
• PubChem CID: 553067

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8899
• LogD (pH = 7.4): 4.8899
• Log P: 4.8899
• Molar Refractivity: 73.5874 cm^3
• Polarizability: 31.637026 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 54-56 °C/0.1 mmHg(lit.)
• Flash Point: 136.4 °F; 58 °C
• Density: 0.886 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.420; n20/D 1.420(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 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, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (GC); 95%
• Grade: technical
• Linear Formula: [(CH3)3SiO]2C=CHOSi(CH3)3

DETAILS

Sigma Aldrich - 235148

Packaging
10 g in glass bottle

Sigma Aldrich - 93400

Other Notes
Reagent for the preparation of hydroxymethyl ketones from carboxylic acid chlorides1,2; Reagent for the preparation of 2,3-dihydroxyalkanoic acids from aldehydes3,4,5