(but-3-yn-1-yloxy)(tert-butyl)dimethylsilane

• ChemBase ID: 61603
• Molecular Formular: C10H20OSi
• Molecular Mass: 184.3507
• Monoisotopic Mass: 184.12834179
• SMILES: [Si](C)(C)(C(C)(C)C)OCCC#C
• Canonical SMILES: C#CCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C10H20OSi/c1-7-8-9-11-12(5,6)10(2,3)4/h1H,8-9H2,2-6H3
• InChIKey: NUZBJLXXTAOBPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (but-3-yn-1-yloxy)(tert-butyl)dimethylsilane
• IUPAC Traditional name: (but-3-yn-1-yloxy)(tert-butyl)dimethylsilane
• Synonyms: (But-3-yn-1-yloxy)(tert-butyl)dimethylsilane; 4-(tert-Butyldimethylsilyloxy)-1-butyne; 4-(叔丁基二甲硅氧基)-1-丁炔

Database IDs

• CAS Number: 78592-82-2
• MDL Number: MFCD03427046
• PubChem SID: 24878549; 162027344
• PubChem CID: 4304567

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8237
• LogD (pH = 7.4): 2.8237
• Log P: 2.8237
• Molar Refractivity: 50.4446 cm^3
• Polarizability: 21.677511 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-74 °C/10 mmHg(lit.)
• Flash Point: 136.4 °F; 58 °C
• Density: 0.893 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.43(lit.)

Safety Information

• Storage Warning: CORROSIVE
• 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
• TSCA Listed: false
• 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: >95%; 97%
• Linear Formula: CH≡C(CH2)2OSi(CH3)2C(CH3)3

DETAILS

Sigma Aldrich - 541672

Packaging
5, 25 mL in glass bottle