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EC number: 445-890-5 | CAS number: 201290-01-9
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
Water solubility [N,N-bis(trimethylsilyl)aminopropylmethyldiethoxysilane]: not determinable due to very rapid hydrolysis in water
Water solubility [3-(diethoxy(methyl)silyl)propylamine]: 5900 mg/l at 20°C (QSAR)
Water solubility [3-(dihydroxymethylsilyl)propylamine]: Above approximately 1000 mg/l condensation reactions can occur over time, limiting the concentration dissolved in water. The calculated solubility is 1.0E+06 mg/l (QSAR).
Water solubility [trimethylsilanol]: Above approximately 1000 mg/l condensation reactions can occur over time, limiting the concentration dissolved in water. The calculated solubility is 1.1E+04 mg/l (QSAR).
Water solubility [ethanol]: miscible at 20°C
Key value for chemical safety assessment
Additional information
The requirement to test the substance for water solubility is waived on the basis that it hydrolyses rapidly to form 3-(dihydroxymethylsilyl)propylamine, trimethylsilanol and ethanol. However, an attempt was made to conduct a water solubility study for the submission substance using a modified method comparable to OECD Test Guideline 105 and in compliance with GLP. 100 ml water at 20°C was spiked with a solution of the test substance in 100 ml acetone, the solution was shaken, wrapped in aluminium foil to exclude light and sampled prior to placing in a water bath at 20°C. Duplicate samples were performed. Sampling of the test substance was performed at various time intervals of 0, 0.5 and 1 hour for test 1 and 0 hour only for test 2. Sample analysis was performed immediately after preparation using GC-FID. At t=0 h, t=0.5 h and t=1 h solutions, no peaks at the characteristic retention time of the test substance were observed in the chromatograms of the sample solution. This indicate that the test substance undergoes very rapid hydrolysis when in contact with water.
N,N-bis(trimethylsilyl)aminopropylmethyldiethoxysilane contains two types of hydrolysable group; one silazane (Si-N-Si) and two ethoxy (Si-OEt) groups. The silazane bond hydrolyses very rapidly in contact with water; hydrolysis half-life of <1 minute at pH 4, pH 7 and pH 9 and 25°C to form an intermediate hydrolysis product of 3-(diethoxy(methyl)silyl)propylamine and trimethylsilanol. The diethoxy group in the intermediate hydrolysis product, 3-(diethoxy(methyl)silyl)propylamine also undergoes further hydrolysis to form 3-(dihydroxymethylsilyl)propylamine and ethanol.
The water solubility of 3-(diethoxymethylsilyl)propylamine has been predicted to be 5900 mg/l at 20°C using a validated QSAR estimation method.
The hydrolysis products 3-(dihydroxymethylsilyl)propylamine and trimethylsilanol, may undergo condensation reactions in water; these become important above approximately 1000 mg/l and can limit the concentration dissolved in water. For details, see the overall physicochemical properties discussion.
3-(Dihydroxymethylsilyl)propylamine and trimethylsilanol are very hydrophilic and hence the calculated solubilities are 1E+06 mg/l and 1.1E+04 mg/l at 20°C respectively using a QSAR estimation method. This QSAR method for water solubility cannot be validated for silanetriols because the saturation concentration of silanetriols in water is limited by condensation reactions rather than lack of true solubility, as discussed above. A prediction of 1E+06 mg/L is indicative but has no practical meaning. The prediction is however considered valid for use in environmental exposure modelling and toxicokinetics modelling because it is considered to adequately describe the hydrophilicity of the substance and hence the partitioning behaviour.
Ethanol is miscible with water (Riddick J. A 1986).
Reference:
Riddick, J.A; Bunger,W.B; Sakano,T.K; Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th ED. New York,NY: Wiley-Interscience. 2:PP.1325 1986.
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