bis(acetyloxy)(propyl)silyl acetate

• ChemBase ID: 180114
• Molecular Formular: C9H16O6Si
• Molecular Mass: 248.30524
• Monoisotopic Mass: 248.07161476
• SMILES: [Si](OC(=O)C)(OC(=O)C)(OC(=O)C)CCC
• Canonical SMILES: CCC[Si](OC(=O)C)(OC(=O)C)OC(=O)C
• InChI: InChI=1S/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3
• InChIKey: DKGZKEKMWBGTIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)(propyl)silyl acetate
• IUPAC Traditional name: bis(acetyloxy)(propyl)silyl acetate
• Synonyms: n-Propyltriacetoxysilane; Triacetoxy-n-propylsilane; n-Propyltriacetoxysilane

Database IDs

• CAS Number: 17865-07-5
• EC Number: 241-816-9
• MDL Number: MFCD00086768
• PubChem SID: 164236024
• PubChem CID: 87339

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6673
• LogD (pH = 7.4): 0.6673
• Log P: 0.6673
• Molar Refractivity: 49.87 cm^3
• Polarizability: 22.739012 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 98%