(but-3-yn-2-yloxy)(tert-butyl)dimethylsilane

• ChemBase ID: 140741
• Molecular Formular: C10H20OSi
• Molecular Mass: 184.3507
• Monoisotopic Mass: 184.12834179
• SMILES: CC(C#C)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: C#CC(O[Si](C(C)(C)C)(C)C)C
• InChI: InChI=1S/C10H20OSi/c1-8-9(2)11-12(6,7)10(3,4)5/h1,9H,2-7H3
• InChIKey: DYUHDPKTGYOFOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (but-3-yn-2-yloxy)(tert-butyl)dimethylsilane
• IUPAC Traditional name: (but-3-yn-2-yloxy)(tert-butyl)dimethylsilane
• Synonyms: tert-Butyl-dimethyl-(methyl-prop-2-ynloxy)silane; 2-tert-Butyldimethylsiloxybut-3-yne; 叔丁基-二甲基-(甲基-丙-2-炔氧基)硅烷; 2-叔丁基二甲基硅氧基丁-3-炔

Database IDs

• CAS Number: 125494-93-1
• MDL Number: MFCD08276883
• PubChem SID: 24884923; 162234981
• PubChem CID: 11030500

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9851
• LogD (pH = 7.4): 2.9851
• Log P: 2.9851
• Molar Refractivity: 50.1084 cm^3
• Polarizability: 21.677511 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 40-42 °C/9 mbar
• Flash Point: 102.2 °F; 39 °C
• Density: 0.812 g/mL at 25 °C
• Refractive Index: n20/D 1.423

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• 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: 97%
• Empirical Formula (Hill Notation): C10H20OSi

DETAILS

Sigma Aldrich - 667579

Packaging
1, 10 g in glass bottle