decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

• ChemBase ID: 126879
• Molecular Formular: C10H30O5Si5
• Molecular Mass: 370.7697
• Monoisotopic Mass: 370.09395672
• SMILES: C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
• Canonical SMILES: C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C
• InChI: InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3
• InChIKey: XMSXQFUHVRWGNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
• IUPAC Traditional name: decamethylcyclopentasiloxane
• Synonyms: Cyclopentamethicone; D5 Cyclic pentamer; 2,2,4,4,6,6,8,8,10,10-Decamethylcyclopentasiloxane; Decamethylcyclopentasiloxane; Decamethylcyclopentasiloxane; Botanisil CP 33; Cyclic dimethylsiloxane Pentamer; Cyclo-decamethylpentasiloxane; Cyclomethicone Pentamer 245; Cyclopentadimethylsiloxane; Cyclopentasiloxane; D5; DC 2-5252C; DC 245; DC 345 Fluid; Dow Corning 2-5252C; Dow Corning 245 Fluid; Dow Corning 345 Fluid; Dow Corning 345EU; Execol D 5; KF 995; LS 9000; Mirasil CM 5; NUC Silicone VS 7158; Pentacyclomethicone; SH 245; Silbione 70045V5; Silbione V 5; Silicon Plus α; Silicone SF 1202; TFS 405; TSF 405; TSF 465; Union Carbide 7158 Silicone Fluid; VS 7158; Volasil 245; Volatile Silicone Fluid 345; Xiameter PMX 0245; 十甲基环五硅氧烷; 十甲基环戊硅氧烷

Database IDs

• CAS Number: 541-02-6
• EC Number: 208-764-9
• MDL Number: MFCD00046966
• Beilstein Number: 1800166
• Merck Index: 142848
• PubChem SID: 162221205; 24868110; 24858424
• PubChem CID: 10913
• Chemspider ID: 10451
• MeSH Name: Decamethylcyclopentasiloxane
• Unique Ingredient Identifier: 0THT5PCI0R
• Wikipedia Title: Decamethylcyclopentasiloxane

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.958
• LogD (pH = 7.4): 0.958
• Log P: 0.958
• Molar Refractivity: 66.208 cm^3
• Polarizability: 36.681324 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Clear Colorless Oil; Colourless liquid; Liquid
• Melting Point: -44°C; -47.15°C (226K)
• Boiling Point: 210°C; 210°C; 90 °C/10 mmHg(lit.)
• Flash Point: 163.4 °F; 73 °C; 76°C(169°F)
• Density: 0.958 g cm^-3; 0.958 g/mL at 25 °C(lit.); 0.959
• Refractive Index: 1.3982; n20/D 1.396(lit.); n20/D 1.398
• Viscosity: 3.74 cP

Safety Information

• Storage Condition: Refrigerator
• RTECS: GY5945200
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: R36/37/38
• Safety Statements: S23, S24/25
• TSCA Listed: 是
• NFPA704:
  

  2

  1

  0
• GHS Hazard statements: H227
• 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: ≥97.0% (GC); 97%
• Grade: purum
• Empirical Formula (Hill Notation): C10H30O5Si5

DETAILS

Sigma Aldrich - 444278

Packaging
50, 250 mL in poly bottle

Toronto Research Chemicals - D212440

A cyclic volatile methylsiloxane (cVMS) used in cosmetic and personal care products. Used in dermal exposure and inhalation toxicity study.

REFERENCES

• Wang, R. et al: Env. Int., 35, 900 (2009)
• Johnson, B. et al.: Chem. Ind. Digest, 23, 79 (2009)
• Reddy, M.D, et al.: Toxic. Sci., 105, 275 (2009)