hexadecyltrimethoxysilane

• ChemBase ID: 152487
• Molecular Formular: C19H42O3Si
• Molecular Mass: 346.62048
• Monoisotopic Mass: 346.29032174
• SMILES: CCCCCCCCCCCCCCCC[Si](OC)(OC)OC
• Canonical SMILES: CCCCCCCCCCCCCCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C19H42O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-19H2,1-4H3
• InChIKey: RSKGMYDENCAJEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecyltrimethoxysilane
• IUPAC Traditional name: hexadecyltrimethoxysilane
• Synonyms: Trimethoxyhexadecylsilane; Hexadecyltrimethoxysilane; HexadecyltriMethoxysilane; 十六烷基三甲氧基硅烷

Database IDs

• CAS Number: 16415-12-6
• EC Number: 240-464-3
• MDL Number: MFCD00069149
• Beilstein Number: 1949851
• PubChem SID: 24874348; 162246632
• PubChem CID: 85406

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.5644
• LogD (pH = 7.4): 6.5644
• Log P: 6.5644
• Molar Refractivity: 95.6754 cm^3
• Polarizability: 40.733063 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 165 °C; 329 °F
• Density: 0.89 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.44

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥85% (GC); 98%
• Grade: technical
• Impurities: isomers
• Linear Formula: H3C(CH2)15Si(OCH3)3

DETAILS

Sigma Aldrich - 52360

Packaging
100, 500 mL in glass bottle