2,2,4,4,6,6,8,8-octamethyl-3,5,7-trioxa-2,4,6,8-tetrasilanonane

• ChemBase ID: 149955
• Molecular Formular: C10H30O3Si4
• Molecular Mass: 310.6854
• Monoisotopic Mass: 310.12720095
• SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
• Canonical SMILES: C[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(C)C)C
• InChI: InChI=1S/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3
• InChIKey: YFCGDEUVHLPRCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,4,6,6,8,8-octamethyl-3,5,7-trioxa-2,4,6,8-tetrasilanonane
• IUPAC Traditional name: decamethyltetrasiloxane
• Synonyms: Decamethyltetrasiloxane; 1,1,1,3,3,5,5,7,7,7-Decamethyltetrasiloxane; SH 200-1.5CS; DC 200 Fluid 1.5; 1,1,3,3-Tetramethyl-1,3-bis(trimethylsiloxy)disiloxane; KF 96L1.5; Decamethyltetrasiloxane; 十甲基四硅氧烷

Database IDs

• CAS Number: 141-62-8
• EC Number: 205-491-7
• MDL Number: MFCD00008263
• Beilstein Number: 1776881
• PubChem SID: 24853991; 162244117
• PubChem CID: 8852

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.411
• LogD (pH = 7.4): 3.411
• Log P: 3.411
• Molar Refractivity: 62.514 cm^3
• Polarizability: 32.98737 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO
• Apperance: Pale Yellow Oil
• Melting Point: -68 °C(lit.)
• Boiling Point: 194 °C(lit.)
• Flash Point: 143.6 °F; 62 °C
• Density: 0.854 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.389(lit.)
• Vapor Density: >1 (vs air)

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under inert atmosphere
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥95.0% (GC); 97%
• Grade: purum
• Linear Formula: (CH3)3SiO[Si(CH3)2O]2Si(CH3)3

DETAILS

Sigma Aldrich - 235679

Packaging
25 g in poly bottle

Toronto Research Chemicals - D212450

A non-cyclic silicone oligomer. Used in the methylation of mercury(II) salts. Study shows that it transformed by a specific microflora and in the natural environment degraded by mechanisms similar to other organic compounds.

REFERENCES

• Radeva, E. et al.: J. Optoelec. Adv. Mat., 11, 1432 (2009)
• Wasserbauer, R. et al.: Folia Microbiologica, 35, 384 (2009)
• Watanabe, N. et al.: Ecotoxic. Env. Safety, 11, 174 (2009)