Trisiloxane, 3-hexyl-1,1,1,3,5,5,5-heptamethyl-

Base Information

• Chemical Name: Trisiloxane, 3-hexyl-1,1,1,3,5,5,5-heptamethyl-
• CAS No.: 1873-90-1
• Molecular Formula: C13H34 O2 Si3
• Molecular Weight: 306.668
• European Community (EC) Number: 428-700-5
• DSSTox Substance ID: DTXSID2073279
• Wikidata: Q82001648
• Mol file: 1873-90-1.mol

Synonyms:1873-90-1;Trisiloxane, 3-hexyl-1,1,1,3,5,5,5-heptamethyl-;3-hexyl-1,1,1,3,5,5,5-heptamethyltrisiloxane;hexyl-methyl-bis(trimethylsilyloxy)silane;1-Hexyl-1,3,3,3-tetramethyl-1-((trimethylsilyl)oxy)disiloxane;Disiloxane, 1-hexyl-1,3,3,3-tetramethyl-1-((trimethylsilyl)oxy)-;Hexyl methicone;3-hexylheptamethyltrisiloxane;SCHEMBL727830;DTXSID2073279;LS-157715;EC 428-700-5

Chemical Property of Trisiloxane, 3-hexyl-1,1,1,3,5,5,5-heptamethyl-

Chemical Property:

• Vapor Pressure: 0.00879mmHg at 25°C
• Boiling Point: 275°C at 760 mmHg
• Flash Point: 106.8°C
• PSA: 18.46000
• Density: 0.844g/cm³
• LogP: 5.34170
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 306.18665993
• Heavy Atom Count: 18
• Complexity: 215

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C

Technology Process of Trisiloxane, 3-hexyl-1,1,1,3,5,5,5-heptamethyl-

There total 3 articles about Trisiloxane, 3-hexyl-1,1,1,3,5,5,5-heptamethyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-hexene (592-41-6,25067-06-5) + 1,1,1,3,5,5,5-heptamethyltrisiloxan (1873-88-7) → 3-n-hexyl-1,1,1,3,5,5,5-heptamethyltrisiloxane (1873-90-1)

Guidance literature:

With 1,3-bis(tert-buthylethynyl)-1,1,3,3-tetramethyldisiloxane platinum ⁽⁰⁾; at 50 ℃; for 16h; Time; Reagent/catalyst;

Reference yield: 64.0%

hexane (110-54-3) + 1,1,1,3,5,5,5-heptamethyltrisiloxan (1873-88-7) → 3-n-hexyl-1,1,1,3,5,5,5-heptamethyltrisiloxane (1873-90-1)

Guidance literature:

hexane; With tert-butylethylene; (PSCOP)IrHCl; sodium t-butanolate; In neat (no solvent); at 200 ℃; for 0.5h; Inert atmosphere; Schlenk technique; Glovebox;

1,1,1,3,5,5,5-heptamethyltrisiloxan; With sodium triethylborohydride; In neat (no solvent); at 20 ℃; for 12h; regioselective reaction; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1021/jacs.8b01526

Reference yield:

chloro-trimethyl-silane (75-77-4) + n-hexylmethyldichlorosilane (14799-94-1) → 3-n-hexyl-1,1,1,3,5,5,5-heptamethyltrisiloxane (1873-90-1)

Guidance literature:

With water;

upstream raw materials:

chloro-trimethyl-silane

n-hexylmethyldichlorosilane

1-hexene

1,1,1,3,5,5,5-heptamethyltrisiloxan