dodecyltrimethoxysilane

• ChemBase ID: 180115
• Molecular Formular: C15H34O3Si
• Molecular Mass: 290.51416
• Monoisotopic Mass: 290.22772148
• SMILES: [Si](OC)(OC)(OC)CCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C15H34O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4/h5-15H2,1-4H3
• InChIKey: SCPWMSBAGXEGPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyltrimethoxysilane
• IUPAC Traditional name: dodecyltrimethoxysilane
• Synonyms: n-Dodecyltrimethoxysilane; 1-(Trimethoxysilyl)dodecane; n-Dodecyltrimethoxysilane; Dodecyltrimethoxysilane; 正十二烷基三甲氧基硅烷

Database IDs

• CAS Number: 18536-91-9; 3069-21-4
• EC Number: 221-332-4
• MDL Number: MFCD00069148
• Beilstein Number: 2356323
• PubChem SID: 164236025
• PubChem CID: 76479

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.9792
• LogD (pH = 7.4): 4.9792
• Log P: 4.9792
• Molar Refractivity: 77.2714 cm^3
• Polarizability: 33.363922 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -40°C
• Boiling Point: 125°C/1.8mm
• Flash Point: 108°C(226°F)
• Density: 0.890
• Refractive Index: 1.4274

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 95%; 95+%

REFERENCES

• Useful for preparation of column supports suitable for reverse-phase chromatography: J. Chromat., 141, 289 (1977); Am. Lab., 11, 45 (1979).