trimethyl(prop-2-yn-1-yloxy)silane

• ChemBase ID: 150640
• Molecular Formular: C6H12OSi
• Molecular Mass: 128.24438
• Monoisotopic Mass: 128.06574154
• SMILES: C[Si](C)(C)OCC#C
• Canonical SMILES: C#CCO[Si](C)(C)C
• InChI: InChI=1S/C6H12OSi/c1-5-6-7-8(2,3)4/h1H,6H2,2-4H3
• InChIKey: ZZRPJWCNCLSOLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(prop-2-yn-1-yloxy)silane
• IUPAC Traditional name: trimethyl(prop-2-yn-1-yloxy)silane
• Synonyms: (Propargyloxy)trimethylsilane; O-(Trimethylsilyl)propargyl alcohol; Trimethyl(2-propynyloxy)silane; Trimethyl(propargyloxy)silane; 3-Trimethylsiloxy-1-propyne; (2-Propynyloxy)trimethylsilane; 3-Trimethylsiloxy-1-propyne; (Propargyloxy)trimethylsilane; (丙炔氧基)三甲基硅烷; O-(三甲基硅基)丙炔醇; 三甲基-2-丙炔氧基硅烷; 丙炔氧基三甲基硅烷; 3-三甲基硅氧基-1-丙炔; (炔丙氧基)三甲基硅烷

Database IDs

• CAS Number: 5582-62-7
• EC Number: 226-981-7
• MDL Number: MFCD00042844
• Beilstein Number: 2036793
• PubChem SID: 162244801; 24863307
• PubChem CID: 79696

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8438
• LogD (pH = 7.4): 1.8438
• Log P: 1.8438
• Molar Refractivity: 31.9674 cm^3
• Polarizability: 14.307066 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-111°C; 52 °C/85 mmHg(lit.)
• Flash Point: 46.4 °F; 8 °C; 8°C(46°F)
• Density: 0.833; 0.835 g/mL at 25 °C(lit.)
• Refractive Index: 1.4080; n20/D 1.408(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); X
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11; 11-22
• Safety Statements: 16-23-24/25; 9-16-33-36-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225; H225-H302
• GHS Precautionary statements: P210; P210-P241-P280-P303+P361+P353-P403+P235-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≡CCH2OSi(CH3)3

DETAILS

Sigma Aldrich - 374423

Packaging
10 g in glass bottle