3-(trimethylsilyl)prop-2-ynal

• ChemBase ID: 140940
• Molecular Formular: C6H10OSi
• Molecular Mass: 126.2285
• Monoisotopic Mass: 126.05009147
• SMILES: C[Si](C)(C)C#CC=O
• Canonical SMILES: O=CC#C[Si](C)(C)C
• InChI: InChI=1S/C6H10OSi/c1-8(2,3)6-4-5-7/h5H,1-3H3
• InChIKey: LJRWLSKYGWLYIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trimethylsilyl)prop-2-ynal
• IUPAC Traditional name: 3-(trimethylsilyl)prop-2-ynal
• Synonyms: 3-Trimethylsilylpropynal; (Trimethylsilyl)propiolaldehyde; 3-(Trimethylsilyl)-2-propynal; 3-三甲基硅烷基丙炔醛; 3-三甲硅基丙炔醛; 3-三甲基甲硅烷基丙炔醛

Database IDs

• CAS Number: 2975-46-4
• MDL Number: MFCD01103709
• PubChem SID: 162235177
• PubChem CID: 2760865

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.648
• LogD (pH = 7.4): 1.648
• Log P: 1.648
• Molar Refractivity: 29.9229 cm^3
• Polarizability: 13.689478 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid, Packaged under argon
• Flash Point: 29 °C; 84.2 °F
• Density: 0.854 g/mL at 25 °C
• Refractive Index: n20/D 1.444

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1224; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; II
• Risk Statements: 10-36/37/38; 11-36/37/38
• Safety Statements: 26-36/37; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H225-H315-H319-H335; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 1224 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H10OSi

DETAILS

Sigma Aldrich - 687170

Packaging
1 g in glass bottle