ethynyltris(propan-2-yl)silane

• ChemBase ID: 87254
• Molecular Formular: C11H22Si
• Molecular Mass: 182.37788
• Monoisotopic Mass: 182.14907724
• SMILES: [Si](C(C)C)(C(C)C)(C(C)C)C#C
• Canonical SMILES: CC([Si](C(C)C)(C(C)C)C#C)C
• InChI: InChI=1S/C11H22Si/c1-8-12(9(2)3,10(4)5)11(6)7/h1,9-11H,2-7H3
• InChIKey: KZGWPHUWNWRTEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethynyltris(propan-2-yl)silane
• IUPAC Traditional name: ethynyltriisopropylsilane
• Synonyms: Ethynyl[tris(isopropyl)]silane; Ethynyl[tris(prop-2-yl)]silane; [Tris(isopropyl)silyl]acetylene; Ethynyltriisopropylsilane; (Triisopropylsilyl)acetylene; Ethynyltriisopropylsilane; 异丙基甲硅烷乙炔; 三异丙基硅基乙炔

Database IDs

• CAS Number: 89343-06-6
• MDL Number: MFCD00075452
• Beilstein Number: 3536241
• PubChem SID: 24889608; 24862139; 162074365
• PubChem CID: 2734682

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8622
• LogD (pH = 7.4): 3.8622
• Log P: 3.8622
• Molar Refractivity: 51.4277 cm^3
• Polarizability: 22.858593 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50-52 °C/0.6 mmHg(lit.); 50-52°C/0.6mm
• Flash Point: 132.8 °F; 56 °C; 56°C
• Density: 0.813; 0.813 g/mL at 25 °C(lit.)
• Refractive Index: 1.4527; n20/D 1.4527(lit.)

Safety Information

• Storage Warning: Flammable/Irritant
• 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: 26-36/37/39
• 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

Product Information

• Purity: ≥98.0% (GC); 95+%; 97%
• Grade: purum
• Linear Formula: [(CH3)2CH]3SiC≡CH

DETAILS

Sigma Aldrich - 360031

Packaging
5, 25 g in glass bottle