trimethoxy(octyl)silane

• ChemBase ID: 147291
• Molecular Formular: C11H26O3Si
• Molecular Mass: 234.40784
• Monoisotopic Mass: 234.16512122
• SMILES: CCCCCCCC[Si](OC)(OC)OC
• Canonical SMILES: CCCCCCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C11H26O3Si/c1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h5-11H2,1-4H3
• InChIKey: NMEPHPOFYLLFTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethoxy(octyl)silane
• IUPAC Traditional name: trimethoxy(octyl)silane
• Synonyms: Octyltrimethoxysilane; Trimethoxy(octyl)silane; n-Octyltrimethoxysilane; Trimethoxy(octyl)silane; 1-(Trimethoxysilyl)octane; n-Octyltrimethoxysilane; 辛基三甲氧基硅烷; 三甲氧基(辛基)硅烷; 正辛基三甲氧基硅烷

Database IDs

• CAS Number: 3069-40-7
• EC Number: 221-338-7
• MDL Number: MFCD00043053
• Beilstein Number: 1926957
• PubChem SID: 24863429; 162241481
• PubChem CID: 76485

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.394
• LogD (pH = 7.4): 3.394
• Log P: 3.394
• Molar Refractivity: 58.8674 cm^3
• Polarizability: 26.004143 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 75°C/0.1mm
• Flash Point: 102 °C; 102°C(216°F); 215.6 °F
• Density: 0.907; 0.907 g/mL at 25 °C(lit.)
• Refractive Index: 1.417; n20/D 1.416(lit.); n20/D 1.417

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (GC); 95+%; 96%; 97+%
• Grade: purum
• Linear Formula: CH3(CH2)7Si(OCH3)3

DETAILS

Sigma Aldrich - 376221

Packaging
25 mL in glass bottle