trimethylsilyl but-2-enoate

• ChemBase ID: 151011
• Molecular Formular: C7H14O2Si
• Molecular Mass: 158.27036
• Monoisotopic Mass: 158.07630622
• SMILES: C/C=C/C(=O)O[Si](C)(C)C
• Canonical SMILES: C/C=C/C(=O)O[Si](C)(C)C
• InChI: InChI=1S/C7H14O2Si/c1-5-6-7(8)9-10(2,3)4/h5-6H,1-4H3
• InChIKey: VZRSIPIZCRNSAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylsilyl but-2-enoate
• IUPAC Traditional name: trimethylsilyl but-2-enoate
• Synonyms: Trimethylsilyl crotonate; 三甲基甲硅烷丁烯酸酯

Database IDs

• CAS Number: 18269-64-2
• MDL Number: MFCD01632570
• PubChem SID: 24871947; 162245170
• PubChem CID: 5702560

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1253
• LogD (pH = 7.4): 3.1253
• Log P: 3.1253
• Molar Refractivity: 39.3776 cm^3
• Polarizability: 17.083948 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 49-50 °C/10 mmHg(lit.)
• Density: 0.897 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4252(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: 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 3272 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: CH3CH=CHCO2Si(CH3)3

DETAILS

Sigma Aldrich - 484393

Packaging
5 g in glass bottle