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Water solubility

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Description of key information

Water solubility 2-(3,4-epoxycyclohexyl)ethyltrimethoxysilane: 1400 mg/l at 20°C (QSAR)

Water solubility 2-(3,4-epoxycyclohexyl)ethylsilanetriol: above approximately 1000 mg/l condensation reactions can occur over time, limiting the concentration dissolved in water. The calculated solubility is 1E+06 mg/l (QSAR).

Water solubility methanol: Miscible at 20°C (OECD 2004)

Key value for chemical safety assessment

Water solubility:
1 400 mg/L
at the temperature of:
20 °C

Additional information

The requirement to conduct a water solubility study for the submission substance is waived because in contact with water; the submission substance hydrolyses rapidly to 2-(3,4-epoxycyclohexyl)ethylsilanetriol and methanol.

However, the water solubility of the parent substance 2-(3,4-epoxycyclohexyl)ethyltrimethoxysilane has been calculated using a validated QSAR method to be 1400 mg/l.

The hydrolysis product, (2-(3,4-epoxycyclohexyl)ethylsilanetriol, 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.

2-(3,4-Epoxycyclohexyl)ethylsilanetriol, is very hydrophilic and hence the calculated solubility is 1E+06 mg/l at 20°C using a validated 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 calculation of the Henry’s Law Constant and for environmental exposure modelling and toxicokinetics modelling because it is considered to adequately describe the hydrophilicity of the substance and hence the partitioning behaviour.

Methanol is miscible in water at 20°C based on experimental data (OECD 2004).

OECD 2004: SIDS Initial Assessment Report for SIAM 19, Berlin, Germany, 18-20 October 2004, Methanol, CAS 67-56-1

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