Registration Dossier
Registration Dossier
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EC number: 202-728-6 | CAS number: 99-08-1
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption
The calculated logKoc value of 2.49 (Bayer Industry Service, 2006, QSAR with limited documentation) as well as the findings by Haas and Loew, 1986 point at a slight adsorption potential of 3-nitrotoluene (cited in the BUA report: indications for a high degree of adsorption and/or elimination of nitrotoluenes as they pass horizontally through the soil. The elimination may result from the degradation of the nitrotoluenes, e.g. by soil organisms and/or from the volatility of the mononitrotoluenes).
Henry's Law constant
Several experimentally determined measured values were reported: 0.94 Pa*m3/mol at 25 °C (Altschuh, 1999) and 14 M atm-1 at 25 °C (reported by Deno and Berkheimer (1960) and cited in Betterton, 1992). The Henry's law constant's value was calculated with the software EPI Suite (HENRYWIN v. 3.10). The QSAR calculation resulted in the following value (bond method): 2.38 Pa*m³/mol at 25°C (QSAR calculation, Bayer Industry Services, 2006).
Distribution modelling
Based on the model calculations (Mackay level I, v.2.11, Bayer Industry Services, 2006), the target compartment for the environmental distribution of 3-nitrotoluene is air (75%).
Water: 24%
Soil: 0.5%
Sediment: 0.5%
Susp. Sediment:<0.01 %
Biota (fish): <0.01 %
Aerosol: <0.01 %
Additional information
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