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EC number: 252-161-3
CAS number: 34708-08-2
log Koc [triethoxy(3-thiocyanatopropyl)silane]: 1.7 at 20°C
and pH 7 (QSAR)
log Koc [(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 purposes.
The 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 adsorption.
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 = 0.24
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
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