methoxydimethyloctadecylsilane

• ChemBase ID: 138060
• Molecular Formular: C21H46OSi
• Molecular Mass: 342.67484
• Monoisotopic Mass: 342.33179262
• SMILES: CCCCCCCCCCCCCCCCCC[Si](C)(C)OC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[Si](OC)(C)C
• InChI: InChI=1S/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3,4)22-2/h5-21H2,1-4H3
• InChIKey: RUFRLNPHRPYBLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methoxydimethyloctadecylsilane
• IUPAC Traditional name: methoxydimethyloctadecylsilane
• Synonyms: Octadecyldimethylmethoxysilane; Dimethylmethoxyoctadecylsilane; Dimethyloctadecylmethoxysilane; Methoxy(dimethyl)octadecylsilane; 二甲基十八烷基甲氧基硅烷; 二甲基甲氧基正十八硅烷; 十八烷基二甲基甲氧基硅烷

Database IDs

• CAS Number: 71808-65-6
• EC Number: 276-039-4
• MDL Number: MFCD00042920
• Beilstein Number: 7346074
• PubChem SID: 162232319; 24865656
• PubChem CID: 172903

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.2904
• LogD (pH = 7.4): 8.2904
• Log P: 8.2904
• Molar Refractivity: 102.647 cm^3
• Polarizability: 43.08276 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 0.83 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.444; n20/D 1.444(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥90% (GC); 94%
• Grade: technical; technical grade
• Impurities: 5-10% other C18-isomers
• Empirical Formula (Hill Notation): C21H46OSi

DETAILS

Sigma Aldrich - 40955

Packaging
25 mL in glass bottle