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EC number: 701-197-2
CAS number: -
Calculation with HYDROWIN v2.00 (EPIWIN software by US-EPA): detected hydrolysable substance class: Epoxides Half-life for hydrolysis with chlorine in the main component: ~ 44 years (pH 7, 25 °C) Half-life for hydrolysis without chlorine in the main component: ~ 29 years (pH 7, 25 °C)
The hydrolysis potential of the test
substance was predicted by the computer program HYDROWIN v2.00 (EPIWIN
software) by US-EPA (Chemservice S.A., 2012). The
program estimates the hydrolysis rate constants for specific organic
classes and, furthermore, a chemical´s half-live under typical
environmental conditions is also determined.Only
esters, carbamates, epoxides, halomethanes (containing 1-3 halogens),
specific alkyl halides and phosphorous esters can be estimate, since
these are specific organic classes, which are able to undergo
hydrolysis. When present, various hydrolysable compound-types will be
fragments of the test substance are
not available from the fragment library included in the computer tool.
Therefore substitutes have been used. Epoxides were detected as
hydrolysable parts, whereby the estimated rate constant does not include
the neutral hydrolysis rate constant. However, if this neutral rate
constant is important, the HYDROWIN predictions will under-estimate the
main component may contain chlorine, which has an influence onto the
hydrolysis rate constant as followed: Including chlorine, hydrolysis
will occur on atom numbers 13 and 19. The corresponding rate constants
are 2.51E-3 L/mol-sec at both positions. The total, acid-catalysed rate
constant at 25 °C is predicted as 5.02E-3 L/mol-sec. Without
chlorine, the hydrolysis may occur on atom numbers 9, 15 and 18 with
identical rate constants of 2.51E-3 L/mol-sec. In this case, the total
acid-catalysed rate constant at 25 °C is predicted as 7.52E-3 L/mol-sec. Concerning
the half-life at a pH of 7, a time span of about 44 years is predicted
if the component contains chlorine, otherwise the half-life will be
around 29 years.
No GLP criteria are applicable for the usage
of this tool, but due to the fact that it is a scientifically accepted
calculation method the estimations performed are reliable with
restrictions and can be used for the chemical safety assessment.
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