2,2,4,6,6-pentamethyl-3,5-dioxa-2,4,6-trisilaheptane

• ChemBase ID: 112606
• Molecular Formular: C7H22O2Si3
• Molecular Mass: 222.50488
• Monoisotopic Mass: 222.09275954
• SMILES: C[SiH](O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[SiH](O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C7H22O2Si3/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,1-7H3
• InChIKey: QNWOFLWXQGHSRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,6,6-pentamethyl-3,5-dioxa-2,4,6-trisilaheptane
• IUPAC Traditional name: 2,2,4,6,6-pentamethyl-3,5-dioxa-2,4,6-trisilaheptane
• Synonyms: 1,1,1,3,5,5,5-HEPTAMETHYLTRISILOXANE; 1,1,1,3,5,5,5-Heptamethyltrisiloxane; 双三甲基硅氧基甲基硅烷

Database IDs

• CAS Number: 1873-88-7
• EC Number: 217-496-1
• MDL Number: MFCD00048000
• Beilstein Number: 1748455
• PubChem SID: 24863086; 162097650
• PubChem CID: 6327366

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7447
• LogD (pH = 7.4): 2.7447
• Log P: 2.7447
• Molar Refractivity: 44.1267 cm^3
• Polarizability: 23.823093 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 142 °C(lit.)
• Flash Point: 22 °C; 71.6 °F
• Density: 0.819 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.382(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 97%
• Linear Formula: [(CH3)3SiO]2SiHCH3

DETAILS

MP Biomedicals - 05224869

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 370886

Packaging
50, 250 mL in glass bottle