(but-3-yn-2-yloxy)trimethylsilane

• ChemBase ID: 141988
• Molecular Formular: C7H14OSi
• Molecular Mass: 142.27096
• Monoisotopic Mass: 142.0813916
• SMILES: CC(C#C)O[Si](C)(C)C
• Canonical SMILES: CC(O[Si](C)(C)C)C#C
• InChI: InChI=1S/C7H14OSi/c1-6-7(2)8-9(3,4)5/h1,7H,2-5H3
• InChIKey: RMKACVRKUKSWNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (but-3-yn-2-yloxy)trimethylsilane
• IUPAC Traditional name: (but-3-yn-2-yloxy)trimethylsilane
• Synonyms: 2-(Trimethylsilyloxy)-3-butyne; 3-(Trimethylsilyloxy)-1-butyne; 2-Trimethylsilyloxy-3-butyne; 2-(三甲基硅氧基)-3-丁炔; 3-(三甲基硅氧基)-1-丁炔; 2-三甲基硅氧基-3-丁炔

Database IDs

• CAS Number: 17869-76-0
• MDL Number: MFCD00190215
• PubChem SID: 162236220; 24882471
• PubChem CID: 28817

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2569
• LogD (pH = 7.4): 2.2569
• Log P: 2.2569
• Molar Refractivity: 36.3862 cm^3
• Polarizability: 16.148314 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127-131 °C(lit.)
• Boiling Point: 116°C
• Flash Point: 41 °F; 5 °C; 6°C(43°F)
• Density: 0.818; 0.818 g/mL at 25 °C(lit.)
• Refractive Index: 1.405; n20/D 1.405(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26; 9-16-23-26-33-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: (CH3)3SiOCH(CH3)C≡CH

DETAILS

Sigma Aldrich - 632031

Packaging
5, 25 g in glass bottle