1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane

Base Information

• Chemical Name: 1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane
• CAS No.: 17955-88-3
• Molecular Formula: C15H38O2Si3
• Molecular Weight: 334.722
• Hs Code.: 2934999090
• European Community (EC) Number: 241-881-3
• UNII: Q95M2P1KJL
• DSSTox Substance ID: DTXSID6051807
• Nikkaji Number: J260.804I
• Wikidata: Q27287131
• RXCUI: 1363431
• Mol file: 17955-88-3.mol

Synonyms:17955-88-3;1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane;3-OCTYLHEPTAMETHYLTRISILOXANE;Caprylyl trisiloxane;trimethyl-(methyl-octyl-trimethylsilyloxysilyl)oxysilane;Caprylyl methicone;Trisiloxane, 1,1,1,3,5,5,5-heptamethyl-3-octyl-;EINECS 241-881-3;UNII-Q95M2P1KJL;Q95M2P1KJL;heptamethyloctyltrisiloxane;octylheptamethyltrisiloxane;3-Ctylheptamethyltrisiloxane;SILSOFT 034;SILCARE 41M15;BRB CAPRYLYL METHICONE;SCHEMBL727806;C15H38O2Si3;DTXSID6051807;CAPRYLYL METHICONE [INCI];C15-H38-O2-Si3;CAPRYLYL TRISILOXANE [INCI];Methyloctylbis(trimethylsiloxy)silane;MFCD08275351;3-OCTYLHEPTAMETHYLTRISILOXANE?;SS 3408;BIS(TRIMETHYLSILOXY)OCTYLMETHYLSILANE;1,1,1,3,5,5,5-Heptamethyl-3-Ctyltrisiloxane;1,1,1,3,5,5,5-Heptamethyl-3-octyl-trisiloxane;Q27287131

Chemical Property of 1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane

Chemical Property:

• Vapor Pressure: 0.00122mmHg at 25°C
• Melting Point: -62 °C
• Refractive Index: 1.4128
• Boiling Point: 308.6 °C at 760 mmHg
• Flash Point: 124.9 °C
• PSA: 18.46000
• Density: 0.845 g/cm³
• LogP: 6.12190
• Water Solubility.: 28ng/L at 20℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 334.21796005
• Heavy Atom Count: 20
• Complexity: 241

Purity/Quality:

99.9% ^*data from raw suppliers

3-OCTYLHEPTAMETHYLTRISILOXANE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
• Uses: caprylyl methicone (3-OCTYLHEPTAMETHYLTRISILOXANE) is used for its occlusive properties. It can help retain water on the surface of the skin.

Technology Process of 1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane

There total 14 articles about 1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane 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%

oct-1-ene (111-66-0,25068-25-1) + 1,1,1,3,5,5,5-heptamethyltrisiloxan (1873-88-7) → 3-n-octyl-1,1,1,3,5,5,5-heptamethyltrisiloxane (17955-88-3)

Guidance literature:

With tetradecyl(tributyl)phosphonium bis(trifluoromethylsulfonyl)amide; C₂₄H₂₀Cl₂P₂Pt; at 100 ℃; for 1h; Reagent/catalyst;

DOI:10.3390/molecules21091115

Reference yield: 95.0%

1-hexene (592-41-6,25067-06-5) + 1,1,1,3,5,5,5-heptamethyltrisiloxan (1873-88-7) → 3-n-octyl-1,1,1,3,5,5,5-heptamethyltrisiloxane (17955-88-3)

Guidance literature:

With C₂₄H₅₈OPtSi₇; In benzene-d6; toluene; at 50 ℃; for 5h; Reagent/catalyst; Schlenk technique;

DOI:10.1021/acs.organomet.6b00741

Reference yield: 88.0%

(E)-3-octene (14919-01-8) + 1,1,1,3,5,5,5-heptamethyltrisiloxan (1873-88-7) → 3-n-octyl-1,1,1,3,5,5,5-heptamethyltrisiloxane (17955-88-3)

Guidance literature:

With C₂₄H₃₃N₂ORh; In tetrahydrofuran; at 20 ℃; for 24h; Time; Inert atmosphere; Glovebox;

DOI:10.1039/d0dt03698f

upstream raw materials:

oct-1-ene

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

1-bis(trimethylsiloxy)methylsilyl-2-octene

octane

Downstream raw materials:

octanol

Refernces

• 1、 Jankowska-Wajda,Kukawka,Smiglak,Maciejewski. "The effect of the catalyst and the type of ionic liquid on the hydrosilylation process under batch and continuous reaction conditions". . p. 5229 - 5236. Retrieved 2018.
• 2、 Iimura, Tomohiro,Akasaka, Naohiko,Iwamoto, Takeaki. "A Dialkylsilylene-Pt(0) Complex with a DVTMS Ligand for the Catalytic Hydrosilylation of Functional Olefins". . p. 4071 - 4076. Retrieved 2016.
• 3、 Pappas, Iraklis,Treacy, Sean,Chirik, Paul J.. "Alkene Hydrosilylation Using Tertiary Silanes with α-Diimine Nickel Catalysts. Redox-Active Ligands Promote a Distinct Mechanistic Pathway from Platinum Catalysts". . p. 4105 - 4109. Retrieved 2016.
• 4、 Buisine, Olivier,Berthon-Gelloz, Guillaume,Briere, Jean-Francois,Sterin, Sebastien,Mignani, Gerard,Branlard, Paul,Tinant, Bernard,Declercq, Jean-Paul,Marko, Istvan E.. "Second generation N-heterocyclic carbene-Pt(0) complexes as efficient catalysts for the hydrosilylation of alkenes". . p. 3856 - 3858. Retrieved 2005.
• 5、 Maliszewski, Benon P.,Tzouras, Nikolaos V.,Guillet, Sébastien G.,Saab, Marina,Beli?, Marek,Van Hecke, Kristof,Nahra, Fady,Nolan, Steven P.. "A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts". . p. 14673 - 14679. Retrieved 2020.
• 6、 Jankowska-Wajda, Magdalena,Bartlewicz, Olga,Walczak, Anna,Stefankiewicz, Artur R.,Maciejewski, Hieronim. "Highly efficient hydrosilylation catalysts based on chloroplatinate “ionic liquids”". . p. 266 - 275. Retrieved 2019.
• 7、 Antonietti, Markus,Badamdorj, Bolortuya,Janik, Michael J.,Liu, Kairui,Yang, Fan. "Accelerated Anti-Markovnikov Alkene Hydrosilylation with Humic-Acid-Supported Electron-Deficient Platinum Single Atoms". supporting information. p. 24220 - 24226. Retrieved 2021/10/07.
• 8、 -. "NOVEL ISOCYANIDE COMPOUND, FORMAMIDE COMPOUND, AND METHOD FOR PRODUCING ORGANIC SILICON COMPOUND USING ISOCYANIDE COMPOUND". Paragraph 0101. . Retrieved 2021/03/19.