trimethylsilyl prop-2-enoate

• ChemBase ID: 151902
• Molecular Formular: C6H12O2Si
• Molecular Mass: 144.24378
• Monoisotopic Mass: 144.06065616
• SMILES: C[Si](C)(C)OC(=O)C=C
• Canonical SMILES: C=CC(=O)O[Si](C)(C)C
• InChI: InChI=1S/C6H12O2Si/c1-5-6(7)8-9(2,3)4/h5H,1H2,2-4H3
• InChIKey: OTYBJBJYBGWBHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylsilyl prop-2-enoate
• IUPAC Traditional name: trimethylsilyl prop-2-enoate
• Synonyms: Acrylic acid trimethylsilanyl ester; Trimethylsilyl acrylate; 丙烯酰氧基三甲基硅烷

Database IDs

• CAS Number: 13688-55-6
• MDL Number: MFCD00156432
• PubChem SID: 162246048; 24879846
• PubChem CID: 554662

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7741
• LogD (pH = 7.4): 2.7741
• Log P: 2.7741
• Molar Refractivity: 33.7041 cm^3
• Polarizability: 15.247587 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 53 °C/0.2 mmHg(lit.)
• Flash Point: -15 °C; 5 °F
• Density: 0.984 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4090(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38-51/53
• Safety Statements: 26-28-61
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335-H411
• GHS Precautionary statements: P210-P261-P273-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

Product Information

• Linear Formula: CH2=CHCO2Si(CH3)3

DETAILS

Sigma Aldrich - 560138

Packaging
25 g in glass bottle