trimethyl(prop-1-en-2-yloxy)silane

• ChemBase ID: 148242
• Molecular Formular: C6H14OSi
• Molecular Mass: 130.26026
• Monoisotopic Mass: 130.0813916
• SMILES: CC(=C)O[Si](C)(C)C
• Canonical SMILES: CC(=C)O[Si](C)(C)C
• InChI: InChI=1S/C6H14OSi/c1-6(2)7-8(3,4)5/h1H2,2-5H3
• InChIKey: UAIFZYSPVVBOPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(prop-1-en-2-yloxy)silane
• IUPAC Traditional name: trimethyl(prop-1-en-2-yloxy)silane
• Synonyms: IPOTMS; 2-(Trimethylsiloxy)propene; Acetone enol trimethylsilyl ether; (Isopropenyloxy)trimethylsilane; 2-(三甲基硅氧基)丙烯; 丙酮烯醇三甲基硅基醚; 三甲基(1-甲基乙烯氧基)硅烷

Database IDs

• CAS Number: 1833-53-0
• EC Number: 217-393-1
• MDL Number: MFCD00042845
• Beilstein Number: 1849023
• PubChem SID: 162242418; 24863419
• PubChem CID: 74599

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7254
• LogD (pH = 7.4): 1.7254
• Log P: 1.7254
• Molar Refractivity: 33.8985 cm^3
• Polarizability: 15.163892 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 93-95 °C
• Flash Point: 19.4 °F; -7 °C
• Density: 0.78 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.395(lit.); n20/D 1.396

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-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 2
• Storage Temperature: -20°C

Product Information

• Purity: ≥85%; ≥85% (GC)
• Grade: technical
• Impurities: ~5% hexamethyldisiloxane; 10-15% hexamethyldisiloxane
• Shipped in: wet ice
• Linear Formula: CH3C(=CH2)OSi(CH3)3

DETAILS

Sigma Aldrich - 376078

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 59275

Other Notes
Reagent for the synthesis of cyclic acetone-acetals from diols1,2; Versatile silylating agent3