dodecyltriethoxysilane

• ChemBase ID: 152045
• Molecular Formular: C18H40O3Si
• Molecular Mass: 332.5939
• Monoisotopic Mass: 332.27467167
• SMILES: CCCCCCCCCCCC[Si](OCC)(OCC)OCC
• Canonical SMILES: CCCCCCCCCCCC[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C18H40O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4/h5-18H2,1-4H3
• InChIKey: YGUFXEJWPRRAEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyltriethoxysilane
• IUPAC Traditional name: dodecyltriethoxysilane
• Synonyms: n-Dodecyltriethoxysilane; Dodecyltriethoxysilane; Dodecyltriethoxysilane; 正十二烷基三乙氧基硅烷; 十二烷基三乙氧基硅烷

Database IDs

• CAS Number: 18536-91-9
• EC Number: 242-409-9
• MDL Number: MFCD00048437
• Beilstein Number: 2414223
• PubChem SID: 162246191; 24867818
• PubChem CID: 87696

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.0067
• LogD (pH = 7.4): 6.0067
• Log P: 6.0067
• Molar Refractivity: 91.5172 cm^3
• Polarizability: 38.890163 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 152-153°C/3mm
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 0.875 g/mL at 20 °C(lit.); 0.890
• Refractive Index: 1.4330

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%
• Grade: technical
• Empirical Formula (Hill Notation): C18H40O3Si

DETAILS

Sigma Aldrich - 44237

Packaging
25 mL in glass bottle