This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
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Application Protocols
No vendor-validated bioassay protocols are provided for this item: Not specified for this item; refer to CoA/Spec Sheet.
General laboratory protocols (literature-based, for materials chemistry; not product-certified):
Glass/silica surface treatment:
Dry glassware/substrate at 150 °C for 2 h; cool under dry N2.
Immerse in 1–2% v/v silane in anhydrous toluene with 0.1% acetic acid; reflux 2–4 h under N2.
Rinse with dry toluene and hexanes; cure 120 °C for 1 h.
Sol–gel co-condensation:
Prepare EtOH/H2O (pH ~4.5 with AcOH), add TEOS (or MTES) and this silane at desired mol%.
Stir at 25–40 °C for 2–6 h; allow gelation; age/cure as required.
Formation of silyl ethers (screening):
Dissolve alcohol (1.0 equiv) and silane (1.2–1.5 equiv) in DCM.
Add CSA (5 mol%) at 0 °C; warm to rt, monitor by TLC/GC.
Quench with NaHCO3, extract, and purify. Optimize per substrate.
Note: Adjust conditions based on substrate, scale, and desired surface coverage or network structure.
Biological Roles
This product is a synthetic organosilicon reagent with no known endogenous biological role.
Literature context (general):
Alkyl/aryl alkoxysilanes are primarily used in materials science, surface chemistry, and polymer modification. They are not metabolites, cofactors, or enzyme substrates in biological systems.
Implications for lab use:
Any interaction with biomolecules (e.g., silanization of biosensor surfaces) is a materials/surface effect rather than a biological function of the molecule itself.
For research use only: As noted in the Product Data, this material is intended strictly for laboratory research. It is not intended for use in humans or animals for therapeutic or diagnostic purposes.
Buffer Applications
Not typically applicable. Ethoxydimethylphenylsilane is not a buffering agent and is incompatible with aqueous buffer systems due to hydrolysis of the Si–OEt bond.
Practical note:
If used to silanize surfaces for bioanalytical work, perform the silanization in anhydrous organic solvents, then rinse thoroughly before exposing the treated surface to aqueous buffers.
Green Alternatives
Greener processing focuses on solvent and catalyst choices; the organosilane itself is the functional reagent.
Solvent substitutions (literature guidance):
Replace toluene/THF with bio-based ethers where feasible:
2-MeTHF: good solvency for organosilanes; immiscible with water facilitates phase separation in hydrolysis workups; higher boiling than THF, enabling reflux without high pressure.
CPME: hydrophobic, low peroxide formation tendency vs cyclic ethers; suitable for surface silylation and azeotropic drying.
Consider propylene carbonate or dimethyl carbonate for certain sol–gel systems when water/alc mixtures are acceptable.
Catalyst and process considerations:
Use catalytic acetic acid or citric acid instead of strong mineral acids for controlled hydrolysis where compatible.
Conduct reactions at ambient temperature when possible; use continuous removal of ethanol (e.g., mild vacuum or sweep gas) to drive equilibria without harsh conditions.
Comparison snapshot (general):
Toluene vs 2-MeTHF: similar solvency; 2-MeTHF is bio-derived and often lower VOC reactivity; note odor and water content management.
DCM vs CPME: CPME avoids chlorinated waste; may require longer times due to lower polarity.
Waste minimization:
Capture and recycle ethanol formed during hydrolysis/etherification.
Minimize aqueous acidic/basic effluents by using stoichiometric water and catalytic conditions.
Pharmaceutical Uses
No item-specific pharmacopeial status or excipient designation is provided: Not specified for this item; refer to CoA/Spec Sheet.
General, non-clinical materials perspective (no therapeutic claims):
Phenyl/alkyl alkoxysilanes can be used in materials processing (e.g., surface treatment of inorganic fillers or device components) to modulate hydrophobicity and adhesion. Any such applications would be in manufacturing/materials contexts, not as active pharmaceutical ingredients.
For regulated use, suppliers typically provide GMP-grade materials with comprehensive impurity profiles and extractables/leachables data; this listing does not specify such a grade.
Physical Properties
Item-specific specs (this lot):
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
Literature/typical properties for ethoxydimethylphenylsilane (reference only; not product specifications):
State: Colorless to pale liquid (typical for monoalkoxy arylsilanes).
Boiling point: ~205–210 °C at 1 atm (literature, approximate; values vary by source).
Density: ~0.96–0.98 g/mL at 20–25 °C (literature range).
Refractive index (n20D): ~1.490–1.495 (literature range).
Solubility: Miscible with many organic solvents (e.g., toluene, hexanes, ether, THF); reacts slowly with water via hydrolysis (general behavior of alkoxysilanes).
Vapor pressure: Expected low at ambient temperature relative to common solvents (literature expectation for C10 arylsilanes).
LogP: Predicted >2 due to aryl and alkyl substituents (computational estimates typically in the 2–3 range; check databases).
Practical notes (general):
Hydrolyzes to the corresponding silanol with liberation of ethanol under moisture/acid/base catalysis; rate depends strongly on pH and temperature.
For precise physical constants applicable to this SKU/lot, consult the CoA/Spec Sheet.
Quality and Grades
Item-specific grade/purity: Not specified for this item; refer to CoA/Spec Sheet.
Synthesis grade targets suitability for general synthetic use; may not be optimized for trace-metal or low-UV requirements.
HPLC grade (for solvents) prioritizes low UV background; not typically relevant for organosilane reagents unless used as mobile phase additives (uncommon).
Stabilizers/inhibitors:
Not specified for this item; refer to CoA/Spec Sheet. Many alkoxysilanes are supplied neat without stabilizers; some may contain trace acid to moderate condensation—verify on CoA if applicable.
What to check on receipt (best practice):
Appearance (clear, low haze), GC purity assay, moisture (Karl Fischer) if critical, and identity confirmation (GC–MS, 1H/13C/29Si NMR). If polymerization or turbidity is observed, material may have partially hydrolyzed.
Lot-to-lot control:
For surface treatments and sol–gel co-condensations, minor moisture differences can affect performance; maintain consistent handling and pre-dry solvents to reduce variability.
Reaction and Applications
General application domains (literature; expand based on alkoxysilane chemistry):
Surface modification of inorganic oxides (SiO2, Al2O3, TiO2): Hydrolysis of the ethoxy group to a silanol followed by condensation to surface M–OH sites, installing a hydrophobic and phenyl-functional dimethylsilyl layer. Useful for tailoring surface energy, dispersion in organic matrices, and interfacial adhesion.
Sol–gel/condensation chemistry: Co-condensation with other silanes (e.g., TEOS, MTES, PhTES) under acid/base catalysis to produce phenyl-methyl-siloxane networks; monoalkoxy functionality tends to limit crosslink density—useful for end-capping or modifying network flexibility and refractive index.
Silyl ether formation from alcohols/phenols: Under Brønsted or Lewis acid catalysis, alkoxysilanes can form corresponding dimethyl(phenyl)silyl ethers with ethanol as the leaving group. Though chlorosilanes are more reactive, alkoxysilanes offer milder, halide-free conditions.
Compatibilization in polymer blends/composites: As a coupling modifier, can improve filler dispersion and hydrophobicity when pre-treating silica, mica, or metal oxides.
Practical tips:
Control stoichiometry of water during hydrolysis; sub-stoichiometric water with catalytic acid/base often yields partial hydrolysis (mono-/di-silanol species) beneficial for controlled grafting.
Pre-dry substrates and solvents; trace moisture affects uniformity. Refluxing in dry toluene with Dean–Stark can aid water removal during condensation on surfaces.
Monitor progress by 29Si NMR or IR (Si–O–Et ~1080–1120 cm⁻¹ decreases; Si–OH ~3300–3500 cm⁻¹ appears; Si–O–Si ~1000–1100 cm⁻¹ grows).
Reaction Conditions
Hydrolysis/condensation (literature guidance):
Solvents: EtOH/H2O mixtures or organic solvents (toluene, 2-MeTHF) with controlled water addition.
Catalysts: Acetic acid (0.1–1.0 equiv% relative to Si) for acid-catalyzed hydrolysis; NH3, amines, or carbonate bases for base-catalyzed routes.
Temperature/time: 20–80 °C, 1–24 h depending on desired conversion and network formation; remove ethanol to drive condensation (Dean–Stark or gentle N2 sweep).
Surface silylation of oxides:
Pre-treat substrate by drying (120–200 °C) to expose reactive –OH groups.
Use anhydrous toluene or heptane (0.5–5% v/v silane), optional catalytic acetic acid or trace water to activate; 60–110 °C for 2–18 h under inert gas.
Post-treatment: rinse with dry solvent, cure 100–150 °C to complete condensation and remove volatiles.
Silyl ether formation from ROH/ArOH:
Solvent: DCM, toluene, or CPME.
Catalyst: strong Brønsted acids (CSA/TfOH, 1–10 mol%) or Lewis acids (TMSOTf in catalytic amounts) to promote ethanol departure.
Conditions: 0–25 °C to control side-reactions; remove EtOH (azeotrope or vacuum) to shift equilibrium. Yields are substrate- and catalyst-dependent; verify with small-scale screening.
Analytical monitoring:
29Si NMR (chemical shifts diagnostic for Si–OEt, Si–OH, and Si–O–Si), IR (Si–O bands), GC for ethanol evolution, TGA for grafting density on solids.
Safety and Handling
Item-specific GHS details: Signal word, H-statements, pictograms, and classification are Not specified for this item; refer to the SDS for authoritative hazard information.
General hazards for alkoxysilanes (literature/analog-based guidance; not product-specific):
May cause eye/skin irritation; inhalation of vapors or mists can irritate respiratory tract.
Hydrolysis can generate ethanol; handle ignition sources appropriately around vapors.
Not an ether; peroxide formation is not a typical concern. However, moisture can initiate hydrolysis/condensation leading to pressure buildup in sealed, wet containers.
PPE and engineering controls (good laboratory practice):
Use chemical-resistant gloves (e.g., nitrile), safety goggles/face shield, lab coat.
Work in a fume hood to control vapors and potential ethanol released during hydrolysis.
Avoid water/moisture during storage and moisture-sensitive operations; prevent contact with strong oxidizers.
First-aid overview (consult SDS for full guidance):
Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical advice if irritation persists.
Inhalation: Move to fresh air; monitor for respiratory irritation.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Fire safety:
Use CO2, foam, or dry chemical for small fires. Combustion/thermal decomposition may yield silicon oxides and carbon oxides.
Solvent Selection
Applicability: This product is an organosilane reagent rather than a solvent. Solvent choice pertains to its use in reactions, hydrolysis/condensation, or surface treatments.
Polarity/miscibility profile (general for aryl-alkoxysilanes):
Nonpolar to moderately nonpolar; miscible with hydrocarbons (hexanes, toluene), ethers (THF, MTBE), and chlorinated solvents (DCM). Limited solubility in alcohols; reacts slowly with water.
Typical solvent choices by application (literature):
Surface silylation of oxides: anhydrous toluene, heptane, or xylene; sometimes with catalytic acetic acid or trace water to initiate hydrolysis at the surface.
Sol–gel co-condensation: alcohol/water mixtures (EtOH/H2O) with acid or base catalyst; cosolvents like THF or acetone may aid homogeneity.
Formation of silyl ethers from alcohols: nonpolar solvents (toluene) or polar aprotic (DCM) with acid catalysts (e.g., CSA, TfOH in catalytic amounts) can drive ethanol elimination.
Selection tips:
Use dry, oxygen-free solvents for moisture-sensitive operations to suppress premature hydrolysis.
For greener processing, consider 2-MeTHF or cyclopentyl methyl ether (CPME) in place of toluene/THF where compatible (see Green Alternatives).
Storage and Reconstitution
Item-specific storage: Store at 2–8 °C (from Product Data). Shipped on wet ice.
General handling/storage guidance for alkoxysilanes:
Moisture sensitive: keep tightly sealed under inert gas (N2/Ar). Use septum-cap bottles where possible; blanket headspace after each use.
Store in a dry, cool place away from acids/bases and oxidizers. Avoid prolonged exposure to light and heat.
If partial hydrolysis/polymerization is suspected (increased viscosity, haze), assess suitability before critical applications.
Reconstitution:
Not applicable; supplied neat. If dilution is desired for application, prepare solutions in dry, oxygen-free organic solvents (e.g., toluene, heptane, 2-MeTHF) immediately before use.
Freeze–thaw:
Freezing is not required and may complicate handling; follow label guidance (2–8 °C). Avoid repeated heating/cooling cycles; aliquot if frequent access is expected.
Shelf-life:
Not specified for this item; refer to CoA/Spec Sheet. For best results, minimize air/moisture exposure and consume opened containers promptly.
Structure and Identity
Item-specific (from Product Data):
Product Name: Ethoxydimethylphenylsilane
CAS: 1825-58-7
CID: 15770
InChIKey: 83483 (as provided)
Storage: Store at 2–8°C; shipped on wet ice
Literature/computed identifiers (for reference; verify against CoA/SDS):
Structural features (general chemistry description):
Core is a tetra-coordinate silicon center bearing three carbon substituents (one phenyl, two methyl) and one ethoxy substituent (Si–O–CH2CH3).
Functional groups: aryl-silicon (Si–Ph), alkyl-silicon (Si–Me), and an alkoxy silane (Si–OEt) functionality.
2D description: a tetrahedral Si atom bonded to a para-planar phenyl ring, two methyl groups, and an ethoxy group; no stereogenic centers; no Si–H bond present.
Notes:
Item-specific formula/SMILES/InChIKey beyond what is listed above are Not specified for this item; refer to CoA/Spec Sheet.
The alkoxy substituent enables hydrolysis/condensation to silanols/siloxanes under acidic or basic conditions (general property of alkoxysilanes).
Synthetic Utility
Functional handles and reactivity (literature):
Si–OEt group: hydrolyzable to silanol; participates in condensation to form Si–O–Si linkages, enabling grafting to oxide surfaces or integration into siloxane networks.
Si–C(aryl/alkyl) bonds: robust under many conditions, imparting thermal/oxidative stability to resulting coatings or polymers.
Absence of Si–H: not a hydrosilane; unsuitable for hydrosilylation or transfer hydrogenation that require Si–H.
Transformations:
Alcohol/phenol protection: formation of dimethyl(phenyl)silyl ethers under acid catalysis with ethanol elimination (halide-free route; often requires stronger acids or catalysts than chlorosilane analogs).
Controlled sol–gel co-condensation with tetra- or tri-alkoxysilanes to tune refractive index, flexibility, and phenyl content in hybrid silica materials.
End-capping of silanol-terminated polysiloxanes to reduce crosslinking and tailor rheology.
Retrosynthetic value:
Serves as a phenyl-bearing silyl source where introduction of a hydrophobic/aromatic moiety is desired on inorganic surfaces or within siloxane backbones without introducing halide byproducts.
Target Specificity
Not applicable. This product is a small-molecule organosilane reagent, not a biological targeting agent, antibody, or probe.
No antigen/epitope, species reactivity, clone, or isotype information applies.
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