tert-butyldimethyl[(2S)-oxiran-2-ylmethoxy]silane

• ChemBase ID: 140842
• Molecular Formular: C9H20O2Si
• Molecular Mass: 188.3394
• Monoisotopic Mass: 188.12325641
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1CO1
• Canonical SMILES: CC([Si](OC[C@H]1OC1)(C)C)(C)C
• InChI: InChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-7-8-6-10-8/h8H,6-7H2,1-5H3/t8-/m0/s1
• InChIKey: YANSSVVGZPNSKD-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethyl[(2S)-oxiran-2-ylmethoxy]silane
• IUPAC Traditional name: tert-butyldimethyl[(2S)-oxiran-2-ylmethoxy]silane
• Synonyms: tert-Butyldimethylsilyl (S)-(+)-glycidyl ether; 叔丁基二甲基甲硅烷基(S)-(+)-缩水甘油醚

Database IDs

• CAS Number: 123237-62-7
• MDL Number: MFCD01862148
• PubChem SID: 162235080
• PubChem CID: 10954307

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0262
• LogD (pH = 7.4): 2.0262
• Log P: 2.0262
• Molar Refractivity: 46.8541 cm^3
• Polarizability: 20.896877 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 197-199 °C/760 mmHg
• Flash Point: 163.4 °F; 73 °C
• Density: 0.890 g/mL at 25 °C
• Refractive Index: n20/D 1.4320
• Optical Rotation: [α]22/D +6.5°, neat

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C9H20O2Si

DETAILS

Sigma Aldrich - 684325

Packaging
5 mL in glass bottle