Registration Dossier
Registration Dossier
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EC number: 419-560-6 | CAS number: 4369-14-6
Endpoint summary
Administrative data
Description of key information
The registered substance, 3-(trimethoxysilyl)propyl acrylate (CAS 4369-14-6; EC No. 419-560-6), is a colourless liquid at standard temperature and pressure, with a measured melting point limit of < -20°C at 1013 hPa and measured boiling point range of 174-241°C at 1013 hPa. The substance has a measured relative density of 1.058 at 20.5 ± 0.5°C and a measured vapour pressure of 20.5 Pa at 25°C.
The substance is not classified for flammability in accordance with Regulation (EC) No. 1272/2008 on the basis of a measured flash point of 109°C at 1013 hPa and the boiling point range of 174-241°C at 1013 hPa. It has a measured auto-ignition temperature of 256 °C at 100.1-103.69 kPa and is not explosive and not oxidising on the basis of chemical structure.
In contact with water, the submission substance reacts rapidly (predicted half-lives of 0.2 hours at pH 4, 2.9 hours at pH 7 and 0.1 hours at pH 9 and at 20-25°C) to produce 3-acryloxypropylsilanetriol and methanol according to the following equation:
H2C=CHC(=O)OCH2CH2CH2Si(OCH3)3 + 3H2O --> H2C=CHC(=O)OCH2CH2CH2Si(OH)3 + 3CH3OH
Therefore, requirements for testing of water-based physicochemical properties for the submission substance are waived on the basis of instability in water. The properties of the hydrolysis products, 3-acryloxypropylsilanetriol and methanol, are assessed instead.
However, the key physicochemical properties of 3-(trimethoxysilyl)propyl acrylate were predicted with the use of validated QSAR estimation methods. The substance has a predicted log Kow value of 1.6 at pH 7 and 20 °C, and water solubility value of 4300 mg/L at 20°C.
Methanol is miscible with water, has low log Kow (-0.82 to -0.64) and high vapour pressure (12790 Pa at 20°C) (OECD 2004).
The saturation concentration in water of the silanol hydrolysis product, 3-acryloxypropylsilanetriol is limited by condensation reactions that can occur over time at loadings above approximately 1000 mg/L. However, it is very hydrophilic (predicted solubility is 1.0E+06 mg/l at 20°C using a QSAR method) and has a low log Kow (-1.5 at pH 7 and 20oC, predicted). It is not expected to be surface active and it is much less volatile than the parent substance with a predicted vapour pressure of 2.3E-05 Pa at 25°C.
Reference:
OECD (2004). SIDS Initial Assessment Report for SIAM 19, Berlin, Germany, 18 - 20 October 2004, Methanol, CAS 67-56-1
Additional information
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