trimethoxy(2-phenylethyl)silane

• ChemBase ID: 139942
• Molecular Formular: C11H18O3Si
• Molecular Mass: 226.34432
• Monoisotopic Mass: 226.10252097
• SMILES: CO[Si](CCc1ccccc1)(OC)OC
• Canonical SMILES: CO[Si](CCc1ccccc1)(OC)OC
• InChI: InChI=1S/C11H18O3Si/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
• InChIKey: UBMUZYGBAGFCDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethoxy(2-phenylethyl)silane
• IUPAC Traditional name: trimethoxy(2-phenylethyl)silane
• Synonyms: (2-Phenylethyl)trimethoxysilane; Trimethoxy(2-phenylethyl)silane; (2-苯乙基)三甲氧基硅烷; 三甲氧基(2-苯乙基)硅烷

Database IDs

• CAS Number: 49539-88-0
• EC Number: 256-363-2
• MDL Number: MFCD00053852
• Beilstein Number: 3031224
• PubChem SID: 24887320; 24867446; 162234188
• PubChem CID: 170789

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6297
• LogD (pH = 7.4): 2.6297
• Log P: 2.6297
• Molar Refractivity: 55.9574 cm^3
• Polarizability: 24.47144 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 95-96 °C/2 mmHg(lit.)
• Flash Point: 106 °C; 222.8 °F
• Density: 1.033 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.475(lit.); n20/D 1.476

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 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, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum
• Linear Formula: C6H5CH2CH2Si(OCH3)3

DETAILS

Sigma Aldrich - 438340

Packaging
1 g in glass bottle