diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane

• ChemBase ID: 150281
• Molecular Formular: C11H24O4Si
• Molecular Mass: 248.39136
• Monoisotopic Mass: 248.14438578
• SMILES: CCO[Si](C)(CCCOCC1CO1)OCC
• Canonical SMILES: CCO[Si](OCC)(CCCOCC1CO1)C
• InChI: InChI=1S/C11H24O4Si/c1-4-14-16(3,15-5-2)8-6-7-12-9-11-10-13-11/h11H,4-10H2,1-3H3
• InChIKey: OTARVPUIYXHRRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane
• IUPAC Traditional name: diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane
• Synonyms: Diethoxy(3-glycidyloxypropyl)methylsilane; (3-Glycidyloxypropyl)methyldiethoxysilane; [3-(2,3-Epoxypropoxy)propyl]methyldiethoxysilane; 二乙氧基甲基[(3-环氧乙烷基甲氧)丙基]硅烷; (3-环氧丙氧基丙基)甲基二乙氧基硅烷; 3-缩水甘油醚氧基丙基甲基二乙氧基硅烷

Database IDs

• CAS Number: 2897-60-1
• EC Number: 220-780-8
• MDL Number: MFCD00046995
• Beilstein Number: 121965
• PubChem SID: 162244442; 24867224
• PubChem CID: 62467

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6687
• LogD (pH = 7.4): 0.6687
• Log P: 0.6687
• Molar Refractivity: 60.053 cm^3
• Polarizability: 26.001858 Å^3
• Polar Surface Area: 40.22 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 122-126 °C/5 mmHg(lit.)
• Flash Point: 122 °C; 251.6 °F
• Density: 0.978 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.431(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38-41
• Safety Statements: 26-36/39
• 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: 97%
• Empirical Formula (Hill Notation): C11H24O4Si

DETAILS

Sigma Aldrich - 435171

Packaging
25 mL in poly bottle