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EC number: 220-011-6
CAS number: 2602-34-8
[3-(2,3-epoxypropoxy)propyl]triethoxysilane: 3300 mg/L at 20°C (QSAR)
[2,3-dihydroxypropoxypropylsilanetriol]: At concentrations above 1000
mg/L condensation reactions can occur over time, limiting the
concentration dissolved in water. The calculated water solubility is
1.0E+6 mg/L at 20°C (QSAR)
water solubility [ethanol]:
miscible with water
A predicted water solubility value
of 3300 mg/L at 20°C was determined for the substance using a validated
QSAR estimation method. The result is considered to be reliable.
In contact with water, [3-(2,3-epoxypropoxy)propyl]triethoxysilane
will hydrolyse moderately rapidly (half-life 12-36 hours at pH 7
and 25°C) to form 2,3-dihydroxypropoxypropylsilanetriol
The water solubility of the
silanol hydrolysis product, 2,3-dihydroxypropoxypropylsilanetriol
was predicted to be 1.0E+6 mg/L at 20°C using a relevant estimation
The silanol hydrolysis product, 2,3-dihydroxypropoxypropylsilanetriol
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 the solution.
The 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. The reactions are reversible
unless the cyclic tetramer concentration exceeds its solubility; in this
case, the cyclic tetramer forms a separate phase, driving the
equilibrium towards the tetramer. For 2,3-dihydroxypropoxypropylsilanetriol,
at loadings about 1000 mg/L the concentration of the cyclic tetramer of
the silanol hydrolysis product is predicted to exceed its solubility,
resulting in formation of a separate phase. Further information is given
in a supporting report (PFA 2016am) attached in Section 13.
The hydrolysis product, 2,3-dihydroxypropoxypropylsilanetriol,
is very hydrophilic and hence the calculated solubility is 1.0E+6 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 reactions rather than
lack of true solubility as discussed above. The prediction is considered
to be valid for use in calculation of 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 J.A 1986).
PFA (2016am). Peter Fisk
Associates, Silanols and aquatic systems, 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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