2,2,4,4,6,6,8,8,10,10-decamethyl-3,5,7,9-tetraoxa-2,4,6,8,10-pentasilaundecane

• ChemBase ID: 151372
• Molecular Formular: C12H36O4Si5
• Molecular Mass: 384.83934
• Monoisotopic Mass: 384.14599229
• SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
• Canonical SMILES: C[Si](O[Si](O[Si](C)(C)C)(C)C)(O[Si](O[Si](C)(C)C)(C)C)C
• InChI: InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3
• InChIKey: FBZANXDWQAVSTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,4,6,6,8,8,10,10-decamethyl-3,5,7,9-tetraoxa-2,4,6,8,10-pentasilaundecane
• IUPAC Traditional name: dodecamethylpentasiloxane
• Synonyms: Dodecamethylpentasiloxane; 十二甲基五硅氧烷

Database IDs

• CAS Number: 141-63-9
• EC Number: 205-492-2
• MDL Number: MFCD00039795
• PubChem SID: 24868328; 162245526
• PubChem CID: 8853

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6026
• LogD (pH = 7.4): 3.6026
• Log P: 3.6026
• Molar Refractivity: 75.7556 cm^3
• Polarizability: 40.318783 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -81 °C(lit.)
• Boiling Point: 230 °C(lit.)
• Flash Point: 186.8 °F; 86 °C
• Density: 0.875 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.392(lit.)
• Vapor Pressure: <1 mmHg ( 20 °C)

Safety Information

• RTECS: SB0970000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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%
• Linear Formula: (CH3)3SiO[Si(CH3)2O]3Si(CH3)3

DETAILS

Sigma Aldrich - 447269

Packaging
10, 50 mL in glass bottle