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| Toxicity/Toxicokinetics |
Toxicity Summary
Exposure Routes: This material has a wide range of commercial applications, including use as a coupling agent and adhesion promoter in glass fibers, adhesives and sealants, casting resins, and coating pretreatment agents. …Human Health: Acute toxicity of 3-aminopropyltriethoxysilane (APTES) has been tested via oral, dermal, and inhalation routes. The acute oral LD50 in rats ranges from 1570 to 3650 mg/kg body weight. The dermal LD50 is 4.29 g/kg body weight, and the 4-hour inhalation LC50 of the hydrolysate is greater than 7.35 mg/L. Five male or female rats exposed to near-saturation APTES vapor for 6 hours did not die (LT50 > 6 hours). The kidneys are the target organ for toxicity from oral and dermal exposures. APTES is a strong irritant to the skin and eyes. In a guinea pig study conducted by Buehler, 7 out of 30 animals developed dermal sensitization. The hydrolysate of this substance did not induce sensitization in the maximum sensitization test in guinea pigs. Rats developed squamous metaplasia and mild granulomatous laryngitis foci after four consecutive weeks of inhalation of APTES hydrolysate inhalable aerosol at a concentration of 147 mg/m³. Rabbits administered APTES nine times percutaneously at 17 or 84 mg/kg body weight/day, or three times percutaneously at 126 mg/kg body weight/day, without systemic toxicity; the no-observed-adverse-effect level (NOAEL) at the exposure site was less than 17 mg/kg body weight/day. In a 90-day rat gavage study, the NOAEL for APTES was 200 mg/kg body weight/day. APTES has been tested in various bacterial reverse mutation/Ames assays, in vitro V79 hamster lung cells and Chinese hamster fibroblast chromosome aberration assays, two Chinese hamster ovary cell HGPRT gene mutation assays, and in vivo mouse micronucleus assays. No evidence of genotoxicity was found in in vivo or in vitro screening tests. In a 90-day rat gavage study, no effects on estrous cycles, spermatogenesis, or reproductive organ parameters were observed in the highest dose group (600 mg/kg/day). Following oral (gavage) exposure in rats, the developmental effects of APTES were observed at a NOAEL of 100 mg/kg body weight/day; the NOAEL based on maternal toxicity (based on mortality and gastrointestinal ulceration) was <0.5 mL/kg. Environmentally: the estimated partition coefficient Log Kow was 0.31, and the estimated water solubility was 7.6 x 10⁵ mg/L; these values may not be applicable due to the hydrolytic instability of the substance… Photodegradation models suggest an atmospheric half-life of approximately 2.4 hours due to photochemically induced hydroxyl radical reactions. However, given the hydrolytic instability of APTES, photodegradation is unlikely to be a viable removal mechanism and is not expected to be the primary degradation process. In the event of leakage, the concentration of the parent silane is very high. The concentration of silanols can also be high; however, silanols rapidly self-condense to form water-insoluble resinous oligomers and polymers. The resulting oligomers and polymers are expected to have molecular weights exceeding 1000. Anecdotal evidence suggests that leaked polymers have molecular weights of 5000-10000. As the parent silane and the generated silanols are diluted, the molecular weight of the condensed polymers is expected to decrease. At sufficiently low silanol concentrations, low molecular weight oligomers predominate. Calculations show that at a relevant trialkoxysilane concentration of 1000 ppm, the equilibrium concentration will be 86% silanol monomers and 14% silanol dimers. At even lower concentrations, silanols will exist as uncondensed monomers. These polymers are not biologically active. However, such substances can be toxic to aquatic organisms due to physical effects such as cysts and gill blockage. APTES has a 96-hour LC50 of >934 mg/L for freshwater fish (zebrafish). The 48-hour EC50 of APTES against Daphnia davidii (large fleas) was 331 mg/L. The 72-hour EbC50 of APTES against the freshwater green algae Scenedesmus niger was 603 mg/L. Based on cell growth, the cell growth inhibition rate of the freshwater green algae Scenedesmus niger reached 10% at 72-hour EbC10 = 38 mg/L; based on growth rate, the cell growth inhibition rate of the same species reached 10% at 0-72-hour ErC10 = 321 mg/L. Since APTES is sensitive to hydrolysis, which may occur during the preparation of the dosing solution and/or the testing process, the observed toxicity is likely due to the hydrolysis products ethanol and trisilanol. [OECD; 3-Aminopropyltriethoxysilane Screening Information Dataset Non-human Toxicity Values Oral LD50 in rats: 1780 mg/kg Oral intubation LD50 in rats (Sprague-Dawley, male): 2.83 g/kg (95% confidence interval = 2.83 (1.61 to 4.98)) Oral intubation LD50 in rats (Sprague-Dawley, female): 1.57 g/kg (95% confidence interval = 1.57 (1.34 to 1.85)) Intraperitoneal LD50 in mice: 260 mg/kg For more complete non-human toxicity data for 3-(triethoxysilyl)propylamine (8 compounds in total), please visit the HSDB record page. |
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| References |
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| Molecular Formula |
C9H23NO3SI
|
|---|---|
| Molecular Weight |
221.37
|
| Exact Mass |
221.144
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| CAS # |
919-30-2
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| Related CAS # |
29159-37-3
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| PubChem CID |
13521
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| Appearance |
Colorless to light yellow liquid
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
222.1±13.0 °C at 760 mmHg
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| Melting Point |
-70 °C
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| Flash Point |
104.4±0.0 °C
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| Vapour Pressure |
0.1±0.4 mmHg at 25°C
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| Index of Refraction |
1.433
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| LogP |
1.37
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
14
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| Complexity |
118
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([Si](CCCN)(OCC)OCC)CC
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| InChi Key |
WYTZZXDRDKSJID-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H23NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-10H2,1-3H3
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| Chemical Name |
3-(Triethoxysilyl)propylamine
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| Synonyms |
3-(Triethoxysilyl)propylamine NSC-95428 NSC95428NSC 95428
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
H2O : ≥ 100 mg/mL (~451.73 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 :Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.5173 mL | 22.5866 mL | 45.1732 mL | |
| 5 mM | 0.9035 mL | 4.5173 mL | 9.0346 mL | |
| 10 mM | 0.4517 mL | 2.2587 mL | 4.5173 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.