trimethoxy(octadecyl)silane

• ChemBase ID: 128697
• Molecular Formular: C21H46O3Si
• Molecular Mass: 374.67364
• Monoisotopic Mass: 374.32162186
• SMILES: CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4/h5-21H2,1-4H3
• InChIKey: SLYCYWCVSGPDFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethoxy(octadecyl)silane
• IUPAC Systematic name: Trimethoxy(octadecyl)silane
• IUPAC Traditional name: octadecyltrimethoxysilane
• Synonyms: Octadecyltrimethoxysilane; Trimethoxy(octadecyl)silane; n-Octadecyltrimethoxysilane; Trimethoxyoctadecylsilane; Octadecyltrimethoxysilane; 十八烷基三甲氧基硅烷; 三甲氧基(十八烷基)硅烷

Database IDs

• CAS Number: 3069-42-9
• EC Number: 221-339-2
• MDL Number: MFCD00043060
• Beilstein Number: 5791830
• PubChem SID: 162223003; 24863428; 24886724
• PubChem CID: 76486
• Chemspider ID: 68956
• MeSH Name: n-Octadecyltrimethoxysilane
• Wikipedia Title: Octadecyltrimethoxysilane

CALCULATED PROPERTIES

• Log P: 7.357
• Molar Refractivity: 104.8774 cm^3
• Polarizability: 44.41981 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.357
• LogD (pH = 7.4): 7.357

PROPERTIES

Physical Property

• Apperance: Colorless liquid; liquid
• Melting Point: 16 - 17°C; 16-17 °C(lit.)
• Boiling Point: 170°C
• Flash Point: 140 °C; 284 °F
• Density: 0.883 g cm^-3; 0.883 g/mL at 25 °C(lit.)
• Refractive Index: 1.438-1.44; n20/D 1.439; n20/D 1.439(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38; R36, R37, R38
• Safety Statements: 26-36; S26, S36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  1

  2

  0
• 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: ≥90% (GC); 90%
• Grade: technical; technical grade
• Linear Formula: CH3(CH2)17Si(OCH3)3

DETAILS

Sigma Aldrich - 376213

Packaging
25 mL in poly bottle
5 mL in glass bottle

Sigma Aldrich - 74763

Caution
may become turbid on storage, partially crystallizes