Hexamethyldisiloxane

Base Information

• Chemical Name: Hexamethyldisiloxane
• CAS No.: 107-46-0
• Deprecated CAS: 864719-97-1,1463472-97-0,1650537-56-6
• Molecular Formula: C6H18OSi2
• Molecular Weight: 78.218
• Hs Code.: 29310095
• European Community (EC) Number: 203-492-7
• NSC Number: 43346
• UNII: D7M4659BPU
• DSSTox Substance ID: DTXSID4026769
• Nikkaji Number: J3.247F
• Wikipedia: Hexamethyldisiloxane
• Wikidata: Q419440
• NCI Thesaurus Code: C92605
• RXCUI: 1311540
• ChEMBL ID: CHEMBL3184090
• Mol file: 107-46-0.mol

Synonyms:hexamethyldisiloxane

Chemical Property of Hexamethyldisiloxane

Chemical Property:

• Appearance/Colour: Colorless or yellowish transparent liquid
• Vapor Pressure: 20 hPa (20 °C)
• Melting Point: -59 °C
• Refractive Index: 1.3745 - 1.3750
• Boiling Point: 100.9 °C at 760 mmHg
• Flash Point: 7.7 °C
• PSA: 9.23000
• Density: 0.79 g/cm³
• LogP: 2.67280
• Storage Temp.: Flammables area
• Solubility.: 0.00037g/l insoluble
• Water Solubility.: insoluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.08961826
• Heavy Atom Count: 9
• Complexity: 76.2

Purity/Quality:

99% ^*data from raw suppliers

Hexamethyldisiloxane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F,N,T
• Statements: 11-50/53-65-51/53-48/23/24/25-36/38-46-45
• Safety Statements: 16-61-62-45-26-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Metals -> Metalloid Compounds (Silicon)
• Canonical SMILES: C[Si](C)(C)O[Si](C)(C)C
• Recent ClinicalTrials: Parallel Group Trial to Evaluate the Efficacy and Safety of Loion? Compared to 10% Salicylic Acid in Patients With Chronic Psoriasis Capitis
• Recent NIPH Clinical Trials: Efficacy and safety of a Dimethicone lotion for head lice infestations.
• Physical properties: Hexamethyldisiloxane is a colorless and transparent liquid. It is easily deliquescent, flammable, and has the risk of causing combustion when exposed to high heat, open flame, and strong oxidizing agents. Boiling point 99.5℃. Flash point -1.1℃. Relative density (d2525) 0.7606. refractive index 1.3750. insoluble in water, soluble in many organic solvents.
• Uses: The most popular precursor chemical is hexamethyldisiloxane (HMDS) which with the addition of helium and oxygen will produce a silica coating. it is used in a variety of consumer applications and can be used as intermediates in the production of silicone polymers. Hexamethyldisiloxane is used as a base fluid in a wide range of personal care products that require fast evaporation and high spreadability. When blended with Dimethicone fluids, It can adjust the residence time of the silicone on the skin. Unlike other volatile fluids, Hexamethyldisiloxane Fluid does not cool the skin as it evaporates. Hexamethyldisiloxane is used as a carrying agent and diluent in the following: skin cream lotions, bath oils, suntan lotions, nail polishes, antiperspirants, deodorants, hair sprays and other beauty and hair care products. A silicon based compound that can be used to create potentially biocompatible materials. Used as a monomer in the synthesis of long chain polysiloxane structures. Used in the methylation of mercury(II) salts. Hexamethyldisiloxane can be used as silylating agent for carboxylic acids, and alcohols; used in preparation of aroyl chlorides; precursor for a variety of trimethylsilyl derivatives.Hexamethyldisiloxane has been used as an inexpensive starting material for the preparation of numerous synthetically useful trimethylsilyl derivatives.

Technology Process of Hexamethyldisiloxane

There total 794 articles about Hexamethyldisiloxane 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: 96.0%

1,1,1-trimethyl-N-phenyl-N-(trimethylsilyl)-silanamine (4147-89-1) → Hexamethyldisiloxane (107-46-0) + benzene diazonium chloride (100-34-5)

Guidance literature:

With nitrosylchloride; In dichloromethane; for 0.166667h; Ambient temperature; further reagents: iC₅H₁₁ONO, EtONO, Me₃SiCl;

Reference yield: 63.0%

chloro-trimethyl-silane (75-77-4) + phenylacetylene (536-74-3) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + Hexamethyldisiloxane (107-46-0) + 1-Phenyl-2-(trimethylsilyl)acetylene (2170-06-1)

Guidance literature:

With zinc; In acetonitrile; for 5h; Heating;

DOI:10.1016/S0022-328X(00)00103-0

Reference yield: 42.0%

bis(trimethylsilyl)sulphate (18306-29-1) + trimethylphenylsilane (768-32-1) → Hexamethyldisiloxane (107-46-0) + trimethylsilyl benzenesulfonate (17882-06-3)

Guidance literature:

at 175 - 210 ℃; under 400 Torr; Yields of byproduct given;

DOI:10.1007/BF00950031

upstream raw materials:

(2-picolyl)trimethylsilane

ethanol

tetraethoxy orthosilicate

ethyl trimethylsilyl ether

Downstream raw materials:

methyltrimethicone

Trimethylmethoxysilane

(hexan-2-yloxy)trimethylsilane

trimethyl-(1-methyl-heptyloxy)-silane

Refernces

Dramatically Enhanced Solubility of Halide-Containing Organometallic Species in Diiodomethane: The Role of Solvent???Complex Halogen Bonding

10.1002/anie.201807642

The research investigates the enhanced solubility of halide-containing organometallics in diiodomethane (CH2I2) compared to other haloalkane solvents. The study hypothesizes that the solvent's complex halogen bonding is responsible for the improved solubility. Experiments involved preparing and characterizing a series of palladium and platinum isocyanide complexes using techniques like CHN elemental analysis, high-resolution mass spectrometry, FT-IR, and NMR spectroscopy. Solubility was measured using quantitative 1H NMR spectroscopy with hexamethyldisiloxane as an internal standard. The researchers also calculated the electrostatic potential of the s-holes (VS(r)max) in the solvents to assess their halogen bonding ability. The results showed that CH2I2 had the highest solubility for the organometallic model compounds, suggesting that its strong s-hole donating ability leads to uniquely strong solvent-(metal complex) halogen bonding, which was further supported by crystal structure analyses and quantum chemical calculations.

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