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EC number: 225-805-6
CAS number: 5089-70-3
The saturation concentration of
(3-chloropropyl)triethoxysilane at room temperature was estimated by a
simplified flask method. The pH of the solution was 4.7.
After mixing about 0.13 g of test
item with 5 mL of water, the test item was floating as globules in the
water. After centrifugation the aqueous phase was diluted with acetone.
The determination of the concentration in the above mentioned solution
was performed by GC with respect to a calibration curve.
Due to the low stability of
(3-chloropropyl)triethoxysilane in water, the water solubility of
(3-chloropropyl)triethoxysilane at room temperature could only be
roughly estimated by a simplified flask method and was found to be =113
mg/L (after 2 hours). Because of the low stability of the test item in
water the expression “greater than or equal to” was used for the result
of the water solubility.
An example of calibration data for
test item-standards is given in Table 2. The r² fit was 0.9994 (optimum
1.0000). This reflects the linearity of the GC-system within the
calibration range of 4.918 µg/mL to 73.77 µg/mL of the test item.
Table 1: Results of the water
solubility of (3-chloropropyl)triethoxysilane
Initial weight of test item [g]
Water added [mL]
Measured concentration [mg/L]
Solubility in water [mg/L]
Table 2 Calibration Data of
[(3-chloropropyl)triethoxysilane]: approximately 113 mg/L at 20 and pH
4.7 (OECD 105)
[(3-chloropropyl)silanetriol]: 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 [ethanol]:
miscible with water
measured water solubility value of approximately 113
mg/L at 20 and pH 4.7 was determined for the submission substance using
a simplified flask method in accordance with OECD Test Guideline 105 and
in compliance with GLP. Due to the hydrolytic instability of the
substance in water, a shorter equilibration time of 2 hours and lower
initial amount of the substance was used. The result is considered to be
reliable to give an indication of the expected water solubility of the
substance and is thus selected as key study.
contact with water, the submission substance hydrolyses moderately
rapidly to form (3-chloropropyl)silanetriol
silanol hydrolysis product, (3-chloropropyl)silanetriol,
may undergo condensation reactions in solution to give siloxane dimers,
linear and cyclic oligomers and highly cross-linked polymeric particles
(sol) that may over time form an insoluble gel and a dynamic equilibrium
is established. The overall rate and extent of condensation is dependent
on nominal loading, temperature, and pH of the system, as well as what
else is present in solution.
condensation reactions of silanetriols may be modelled as an equilibrium
between monomer, dimer, trimer and tetramer, with the linear tetramer
cyclising to the thermodynamically stable cyclic tetramer. At higher
loadings, cross-linking reactions may occur. The reactions are
reversible unless the cyclic tetramer concentration exceeds its
solubility, in this case, the cyclic tetramer forms a separate phase,
driving equilibrium towards the tetramer. At loadings below 500 mg/L of (3-chloropropyl)silanetriol,
the soluble monomer is expected to predominate in solution (>99%), with
small amounts of dimer and oligomers. Condensation reactions are
expected to become important at loadings above about 1000 mg/L causing
the formation of insoluble polymeric particles (sols) and gels over
information is given in a supporting report (PFA 2016am) attached in
hydrolysis product, (3-chloropropyl)silanetriol,
is very hydrophilic and hence the calculated solubility is 1.0E+06 mg/L
using a QSAR method. This QSAR method for water solubility cannot be
validated for silanetriols because the saturation concentration of
silanetriols in water is limited by condensation reaction 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
Ethanol is miscible with water
(Riddick JA 1986).
PFA (2016am). Peter Fisk
Associates, Analogue Report - Silanols and aquatic systems. Reference:404.105.003
Riddick J A (1986). 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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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