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EC number: 252-161-3
CAS number: 34708-08-2
[triethoxy(3-thiocyanatopropyl)silane]: 1.7 at 20°C and pH 7 (QSAR)
[(3-thiocyanatopropyl)silanetriol]: 0.24 at 20°C and pH 7 (QSAR)
A predicted log Koc value
of 1.7 was obtained for triethoxy(3-thiocyanatopropyl)silane, CAS
34708-08-2; EC No. 252-161-3 using a validated QSAR estimation method.
The result is considered to be reliable and used for assessment
substance hydrolyses moderately to form (3-thiocyanatopropyl)silanetriol
and ethanol (CAS 64-17-5; EC No. 200-578-6) which have low
log Kow values (<3) and thus have low potential for
Where the log Kow
is >3 as is the case for the parent substance, a validated QSAR
estimation method is used for calculating the log Koc.
However, for environmental
exposure assessment, adsorption is predicted for the silanol hydrolysis
product using the ‘non-hydrophobics’
log Kow-based prediction method for log Koc developed
by Sabljić and Güsten (1995) for the European Commission, and
recommended in EU Guidance.
The relevant equation is:
Log Koc = 0.52
log Kow + 1.02
Therefore, log Koc for
silanol hydrolysis product, (3-thiocyanatopropyl)silanetriol
Sabljić A and Güsten H (1995).
QSARs for soil sorption. in: overview of structure-activity
relationships for environmental endpoints. Hermens JLM (ed), report
prepared within the framework of the project "QSAR for prediction of
fate and effects of chemicals in the environment", an international
project of the Environmental Technologies RTD programme (DG XII/D-1) of
the European Commission under contract number EV5V-CT92-0211.
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