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EC number: 204-616-2
CAS number: 123-30-8
The half-life of 4-aminophenol and its degradation rate constant in the presence of hydroxyl radicals were predicted by the use of quantitative structural activity relationship modeling, by the use of AOPWIN v1.92a, a model within the EPI Suite v4.00, validated QSAR model, part of OECD (Q)SAR Toolbox.
The photolysis half-life and
degradation rate constant of 4-aminophenol were estimated, based on QSAR
modeling. The degradation constant with hydroxyl radicals was predicted
to be74.2471 E-12cm3/molecule-1s-1.
Assuming a hydroxyl radical concentration [-OH] of 1.5 x 106molecules/cm3and
12 hours of sunlight, the half-life was predicted as 1.729 hours (0.144
The model User's Guide
states that the 24-hour daylight average hydroxyl radical concentration
may be more appropriate for chemicals that react more slowly (i. e.,>
a few days). Since
the modeling results indicate that 4-aminophenol is a fast-reacting
chemical (with a half-life in the scale of hours), the estimated
half-life associated with the default hydroxyl radical concentration
with 12-hour daylight cycle (i. e., 1.729 hours) is considered
the more appropriate of the two estimated half-life values.
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