Registration Dossier
Registration Dossier
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EC number: 202-808-0 | CAS number: 99-99-0
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption
Binding to soil organic matter has been calculated with Koc = 309 (Bayer AG, 2002b), Koc = 494 (based on log Kow, Lyman, 1990) and Koc = 175 (based on log S; S=water solubility, Lyman, 1990). Thus it is supposed that 4-nitrotoluene would adsorb slightly to sewage sludge, suspended solids, and sediment in water. According to Litz (1990) 4-nitrotoluene can be regarded as a substance with medium geoaccumulation properties. Haderlein et al. (1996) report adsorption constants of 5 - 45 l/kg of 4-nitrotoluene on three monoionic K+ clay minerals indicating a low adsorption by clays. Phyllosilicates of clay were found to be strong and specific sorbents for aromatic nitro compounds. Sorption of 4-nitrotoluene to 2 homoionic kalium ion clays was determined. (Weissmahr, 1999)
Henry's Law constant
The Henry´s law constant (HLC) of 4-nitrotoluene was measured at 25 °C with the thermodynamic method and HPLC/GC (thermodynamic method according to Brunner et al. (1990). The dimensionless HLC is reported to be 0.00023 (25°C), which corresponds to 0.57 Pa m3/mol (25°C). (Altschuh, 1999)
The Henry's law constant's value was calculated with the software EPI Suite (SRC-HENRYWIN v. 3.10, 2000). The QSAR calculation resulted in the following values: 2.38 Pa*m³/mol (bond method) and 4.83 Pa*m³/mol (group method) at 25°C. (Bayer AG, 2002)
The Henry's law constant's value for 4-nitrotoluene was reported as: 5.2 Pa*m³/mol at 20°C. (BUA report 41, 1989)
Distribution modelling
According to the Mackay Fugacity Model Level I (Bayer AG, 2002), the main target compartments for 4-nitrotoluene are:
- the air with 63.7 %
- the hydrosphere with 35.0 %
- the soil and sediment with each 0.65 %
Additional information
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