3-(METHACRYLOYLOXY)PROPYLTRIS(TRIMETHYLSILOXY)SILANE CAS#: 17096-07-0; ChemWhat Code: 67038

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name3-(METHACRYLOYLOXY)PROPYLTRIS(TRIMETHYLSILOXY)SILANE
IUPAC Name3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
Molecular Structure
CAS Registry Number 17096-07-0
EINECS Number241-165-0
MDL NumberMFCD00053871
Beilstein Registry Number105692
Synonyms3-[3,3,3-trimethyl-1,1-bis[(trimethylsilyl)oxy]disiloxanyl]propyl methacrylatetris(trimethylsilyloxy)silylpropyl (meth)acrylate
Molecular FormulaC16H38O5Si4
Molecular Weight422.819
InChIInChI=1S/C16H38O5Si4/c1-15(2)16(17)18-13-12-14-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11/h1,12-14H2,2-11H3
InChI KeyBESKSSIEODQWBP-UHFFFAOYSA-N
Canonical SMILESC=C(C)C(=O)OCCCSiC)(OSi(C)C)OSi(C)C
Patent Information
Patent IDTitlePublication Date
US2024/383865HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS2024
WO2021/40975AQUEOUS DISPERSION OF ACRYLATE-SILOXANE COPOLYMER PARTICLES2021

Physical Data

AppearanceColorless transparent liquid
SolubilityImmiscible with water.
Flash Point230 °F
Refractive indexn20/D 1.419(lit.)
Boiling Point, °CPressure (Boiling Point), Torr
118.5 – 120.51.50015

Spectra

No data available

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 3-(METHACRYLOYLOXY)PROPYLTRIS(TRIMETHYLSILOXY)SILANE CAS#: 17096-07-0
ConditionsYield
With trifluorormethanesulfonic acid; 2,6-di-tert-butyl-4-methyl-phenol at 80℃; for 1h; Dean-Stark; Inert atmosphere;
Experimental Procedure
To a 500 mL three-necked flask equipped with a constant pressure funnel, magnetic stirrer, Dean-Stark tube and condenser, under nitrogen 124.18 g (0.5 mol) Methacryloxypropyltrimethoxysilane was added, 0.15 g of trifluoromethanesulfonic acid, 0.15 g of BHT was heated to 80 °C and 198.35 g (1.5 mol) of acetoxytrimethylene was added dropwise to the reaction flask through a constant pressure funnel. As the dropwise addition progressed, most of the low boiling by-products were continuously distilled off and collected from the Dean-Stark tube side tube. After completion of the addition, stirring was continued for 1 hour. The reaction product was transferred to a separatory funnel and washed with water (100 mL) six times to obtain a neutral colorless transparent liquid. A small amount of low boiling substance was removed by rotary evaporation under reduced pressure to obtain 198.08 g of methacryloxypropyltris(trimethylsiloxy)silane in a yield of 93.7%.
93.7%

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315 (74.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (74.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (73%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H413 (19%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesP261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationNONH for all modes of transport
Sealed and kept in cool & ventilated place.
HS CodeNo data available
StorageSealed and kept in cool & ventilated place.
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight422.817
logP6.329
HBA5
HBD0
Matching Lipinski Rules3
Veber rules component
Polar Surface Area (PSA)53.99
Rotatable Bond (RotB)12
Matching Veber Rules1
Use Pattern
Sanitary napkins
Conformable solvent based bandage and coating material
Hemostatic coating material
Protecting surgical sites
Protecting skin

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