trimethyl[(2-methylbut-3-yn-2-yl)oxy]silane

• ChemBase ID: 147961
• Molecular Formular: C8H16OSi
• Molecular Mass: 156.29754
• Monoisotopic Mass: 156.09704166
• SMILES: CC(C)(C#C)O[Si](C)(C)C
• Canonical SMILES: C#CC(O[Si](C)(C)C)(C)C
• InChI: InChI=1S/C8H16OSi/c1-7-8(2,3)9-10(4,5)6/h1H,2-6H3
• InChIKey: JNRUXZIXAXHXTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[(2-methylbut-3-yn-2-yl)oxy]silane
• IUPAC Traditional name: trimethyl[(2-methylbut-3-yn-2-yl)oxy]silane
• Synonyms: [(1,1-Dimethyl-2-propynyl)oxy]trimethylsilane; 3-Methyl-3-trimethylsiloxy-1-butyne; 3-METHYL-3-TRIMETHYLSILYLOXY-1-BUTYNE; [(1,1-二甲基-2-丙炔基)氧基]三甲基硅烷; 3-甲基-3-三甲基甲硅烷氧基 -1-丁炔

Database IDs

• CAS Number: 17869-77-1
• EC Number: 241-823-7
• MDL Number: MFCD00053867
• PubChem SID: 162242142; 24872960
• PubChem CID: 87344

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3351
• LogD (pH = 7.4): 2.3351
• Log P: 2.3351
• Molar Refractivity: 41.0244 cm^3
• Polarizability: 17.99064 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 115-116 °C(lit.); 52°C/75mm
• Flash Point: 20 °C; 68 °F
• Density: 0.806 g/mL at 25 °C(lit.)
• Refractive Index: 1.4052; n20/D 1.404(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; III
• Risk Statements: 11; 11-36/37/38
• Safety Statements: 16-36; 9-16-26-33-37-43-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225; H225-H315-H319-H335
• GHS Precautionary statements: P210; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• 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

Product Information

• Purity: 97%; 98%
• Linear Formula: HC≡CC(CH3)2OSi(CH3)3

DETAILS

Sigma Aldrich - 495239

Packaging
5 mL in glass bottle