3-(trimethoxysilyl)propyl prop-2-enoate

• ChemBase ID: 145373
• Molecular Formular: C9H18O5Si
• Molecular Mass: 234.32172
• Monoisotopic Mass: 234.09235021
• SMILES: CO[Si](CCCOC(=O)C=C)(OC)OC
• Canonical SMILES: C=CC(=O)OCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C9H18O5Si/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4/h5H,1,6-8H2,2-4H3
• InChIKey: KBQVDAIIQCXKPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trimethoxysilyl)propyl prop-2-enoate
• IUPAC Traditional name: 3-(trimethoxysilyl)propyl prop-2-enoate
• Synonyms: (3-Acryloyloxypropyl)trimethoxysilane; 3-(Trimethoxysilyl)propyl acrylate; 3-(Acryloxy)propyltrimethoxysilane; 3-(Trimethoxysilyl)propyl acrylate; 3-(Acryloyloxy)propyltrimethoxysilane; (3-丙烯酰氧基丙基)三甲氧基硅烷; 3-(三甲氧基甲硅基)丙烯酸丙酯; 3-(丙烯酰氧基)丙基三甲氧基硅烷

Database IDs

• CAS Number: 4369-14-6
• EC Number: 419-560-6
• MDL Number: MFCD00054803
• Beilstein Number: 2046320
• PubChem SID: 24845199; 162239579; 24871085
• PubChem CID: 151204

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.792
• LogD (pH = 7.4): 1.792
• Log P: 1.792
• Molar Refractivity: 51.5467 cm^3
• Polarizability: 22.936235 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 68 °C/0.4 mmHg(lit.); 95-100°C/3mm
• Flash Point: 123 °C; 123°C(253°F); 253.4 °F
• Density: 1.055 g/mL at 25 °C(lit.); 1.059
• Refractive Index: 1.4290; n20/D 1.429(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: UD3810000
• European Hazard Symbols: Corrosive (C); X; Irritant (Xi)
• UN Number: UN1760
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 20-34-43-52/53; 37/38-41
• Safety Statements: 26-36/37/39-45-61; 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H317-H332-H412; H314-H318-H332-H317-H402-H412
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95% (GC); 92%; 95%, stab. with 100ppm BHT
• Grade: technical
• Contains: 100 ppm BHT as inhibitor
• Linear Formula: H2C=CHCO2(CH2)3Si(OCH3)3

DETAILS

Sigma Aldrich - 475149

Packaging
25 mL in poly bottle
5 mL in glass bottle