trimethyl(phenoxy)silane

• ChemBase ID: 149551
• Molecular Formular: C9H14OSi
• Molecular Mass: 166.29236
• Monoisotopic Mass: 166.0813916
• SMILES: C[Si](C)(C)Oc1ccccc1
• Canonical SMILES: C[Si](Oc1ccccc1)(C)C
• InChI: InChI=1S/C9H14OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8H,1-3H3
• InChIKey: OJAJJFGMKAZGRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(phenoxy)silane
• IUPAC Traditional name: silane, trimethylphenoxy-
• Synonyms: Phenoxy(trimethyl)silane; Phenyl trimethylsilyl ether; Trimethyl(phenoxy)silane; 苯基三甲基硅醚; 苯氧基(三甲基)硅烷; 三甲基苯氧基硅烷

Database IDs

• CAS Number: 1529-17-5
• EC Number: 216-211-8
• MDL Number: MFCD00053666
• Beilstein Number: 1905943
• PubChem SID: 24863740; 162243716
• PubChem CID: 73720

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2517
• LogD (pH = 7.4): 3.2517
• Log P: 3.2517
• Molar Refractivity: 44.1648 cm^3
• Polarizability: 19.471521 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 81 °C/23 mmHg(lit.)
• Flash Point: 105.8 °F; 41 °C
• Density: 0.92 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.478

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-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 1993 3/PG 3

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: C6H5OSi(CH3)3

DETAILS

Sigma Aldrich - 380415

Packaging
10 mL in glass bottle