triethoxy[3-(oxiran-2-ylmethoxy)propyl]silane

• ChemBase ID: 158204
• Molecular Formular: C12H26O5Si
• Molecular Mass: 278.41734
• Monoisotopic Mass: 278.15495046
• SMILES: CCO[Si](CCCOCC1CO1)(OCC)OCC
• Canonical SMILES: CCO[Si](OCC)(OCC)CCCOCC1CO1
• InChI: InChI=1S/C12H26O5Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12/h12H,4-11H2,1-3H3
• InChIKey: JXUKBNICSRJFAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy[3-(oxiran-2-ylmethoxy)propyl]silane
• IUPAC Traditional name: triethoxy[3-(oxiran-2-ylmethoxy)propyl]silane
• Synonyms: 3-(2,3-Epoxypropyloxy)propyltriethoxysilane; (3-Glycidyloxypropyl)triethoxysilane; 3-(2,3-环氧丙氧基)丙基三乙氧基硅烷; 3-缩水甘油醚氧基丙基三乙氧基硅烷

Database IDs

• CAS Number: 2602-34-8
• EC Number: 220-011-6
• MDL Number: MFCD01311705
• Beilstein Number: 144145
• PubChem SID: 162252340; 24873331
• PubChem CID: 102856

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2442
• LogD (pH = 7.4): 1.2442
• Log P: 1.2442
• Molar Refractivity: 65.4892 cm^3
• Polarizability: 28.562796 Å^3
• Polar Surface Area: 49.45 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 144 °C; 291.2 °F
• Density: 1.004 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.427

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H332-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC)
• Empirical Formula (Hill Notation): C12H26O5Si

DETAILS

Sigma Aldrich - 50059

Packaging
50 mL in glass bottle