4-[(tert-butyldimethylsilyl)oxy]oxane-2,6-dione

• ChemBase ID: 69645
• Molecular Formular: C11H20O4Si
• Molecular Mass: 244.3596
• Monoisotopic Mass: 244.11308565
• SMILES: C1(=O)CC(CC(=O)O1)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC([Si](OC1CC(=O)OC(=O)C1)(C)C)(C)C
• InChI: InChI=1S/C11H20O4Si/c1-11(2,3)16(4,5)15-8-6-9(12)14-10(13)7-8/h8H,6-7H2,1-5H3
• InChIKey: RXAJGRHLLRGVSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(tert-butyldimethylsilyl)oxy]oxane-2,6-dione
• IUPAC Traditional name: 4-[(tert-butyldimethylsilyl)oxy]oxane-2,6-dione
• Synonyms: 3-(tert-Butyldimethylsilyloxy)glutaric anhydride; 3-(tert-Butyldimethylsilyloxy)glutaric anhydride; 3-(叔丁基二甲基硅氧基)戊二酸酐

Database IDs

• CAS Number: 91424-40-7
• MDL Number: MFCD00075235
• PubChem SID: 162035371; 24860968
• PubChem CID: 4141040

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7662
• LogD (pH = 7.4): 1.7662
• Log P: 1.7662
• Molar Refractivity: 56.1422 cm^3
• Polarizability: 24.781813 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-81 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 99%
• Empirical Formula (Hill Notation): C11H20O4Si

DETAILS

Sigma Aldrich - 341592

Packaging
5 g in glass bottle