hexamethyl-1,3,5,2,4,6-trioxatrisilinane

• ChemBase ID: 149710
• Molecular Formular: C6H18O3Si3
• Molecular Mass: 222.46182
• Monoisotopic Mass: 222.05637403
• SMILES: C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C
• Canonical SMILES: C[Si]1(C)O[Si](C)(C)O[Si](O1)(C)C
• InChI: InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3
• InChIKey: HTDJPCNNEPUOOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexamethyl-1,3,5,2,4,6-trioxatrisilinane
• IUPAC Traditional name: cyclomethicone
• Synonyms: Hexamethylcyclotrisiloxane; 六甲基环三硅氧烷

Database IDs

• CAS Number: 541-05-9
• EC Number: 208-765-4
• MDL Number: MFCD00005943
• Beilstein Number: 1766829
• PubChem SID: 24853993; 162243872
• PubChem CID: 10914

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5748
• LogD (pH = 7.4): 0.5748
• Log P: 0.5748
• Molar Refractivity: 39.7248 cm^3
• Polarizability: 22.008795 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50-64 °C(lit.); 64-66°C
• Boiling Point: 134 °C(lit.); 134°C
• Flash Point: 35 °C; 35°C(95°F); 95 °F
• Vapor Density: 1 (vs air)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: GZ4705000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325; UN1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2; II
• Risk Statements: 11-36/37/38
• Safety Statements: 26; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P241-P305+P351+P338-P302+P352-P405-P501A; P210-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C6H18O3Si3

DETAILS

Sigma Aldrich - 235687

Packaging
25, 100 g in glass bottle