Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 214-302-7 | CAS number: 1120-24-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- October 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Full justification is given in the attached QMRF/QPRF.
- Guideline:
- other: ECHA Guidance on Information Requirements and Chemical Safety Assessment. Chapter R. 6: QSARs and grouping of chemicals
- Version / remarks:
- 2008
- Guideline:
- other: ECHA Practical guide How to use and report (Q)SARs
- Version / remarks:
- July 2016
- Principles of method if other than guideline:
- The adsorption potential is estimated based on the n-octanol-water partition coefficient for the neutral substance and the pKa, using the model by Franco and Trapp (2008) for ionisable organic chemicals. Full details on the model (including references), applicability domain issues, results and interpretation are provided in the attached QMRF/QPRF.
- Type of method:
- other: QSAR
- Media:
- soil
- Test temperature:
- 20 °C
- Computational methods:
- Full details are provided in the attached QMRF/QPRF.
- Type:
- log Koc
- Value:
- 4.4
- Temp.:
- 20 °C
- Matrix:
- Soil
- % Org. carbon:
- 0.02
- Remarks on result:
- other:
- Key result
- Phase system:
- other: solids-water in all environmental media
- Type:
- Kp
- Value:
- 500 L/kg
- Temp.:
- 20 °C
- Matrix:
- Sediment; suspended matter; STP
- Remarks on result:
- other: Adsorption does not correlate with the organic carbon (OC) fraction of the medium (QMRF/QPRF).
- Validity criteria fulfilled:
- yes
- Conclusions:
- Predicted organic carbon normalized adsorption coefficient for soil:
log Koc = 4.4
Predicted partition coefficient solids water (Kp; equivalent to Kd, distribution coefficient for adsorption) for different environmental media:
Kp (Kd) = 500 - Executive summary:
The organic carbon normalized adsorption coefficient for soil (Koc) is estimated using the model by Franco and Trapp (2008) for ionisable organic chemicals based on the n-octanol-water partition coefficient for the neutral substance and the pKa. Full details on the model (including references), applicability domain issues, results and interpretation are provided in the attached QMRF/QPRF.
The predicted log Koc for soil is for all DMA category members within the range of 4.38 to 4.40. Taking the accuracy of prediction into account, a rounded value of log Koc = 4.4 is used for all category members.
The partition coefficient solids water (Kp; equivalent to Kd, distribution coefficient for adsorption) derived from (unrounded) predicted log Koc values based on the EU default OC fraction in soil solids (0.02) is within the range of 477 to 506 L/kg. Taking the accuracy of prediction into account, a rounded value of Kp (Kd) = 500 is used for all category members.
As justified in detail in the attached QMRF/QPRF, this Kp (Kd) is appropriate to account for the solids adsorption of DMAs in all environmental media, i.e. soil, suspended matter, sediment, and the STP (raw sewage sludge, primary sludge, secondary sludge, effluent sewage sludge). The reason is that adsorption does not correlate with the organic carbon (OC) fraction of the medium.
All DMA category members are within the applicability domain of the model.
Reference
Full details on results are provided in the attached QMRF/QPRF.
The predicted log Koc for soil is for all DMA category members within the range of 4.38 to 4.40. Taking the accuracy of prediction into account, a rounded value of log Koc = 4.4 is used for all category members.
The partition coefficient solids water (Kp; equivalent to Kd, distribution coefficient for adsorption) derived from (unrounded) predicted log Koc values based on the EU default OC fraction in soil solids (0.02) is within the range of 477 to 506 L/kg. Taking the accuracy of prediction into account, a rounded value of Kp (Kd) = 500 is used for all category members.
As justified in detail in the attached QMRF/QPRF, this Kp (Kd) is appropriate to account for the solids adsorption of DMAs in all environmental media, i.e. soil, suspended matter, sediment, and the STP (raw sewage sludge, primary sludge, secondary sludge, effluent sewage sludge). The reason is that adsorption does not correlate with the organic carbon (OC) fraction of the medium.
All DMA category members are within the applicability domain of the model.
Description of key information
Predicted organic carbon normalized adsorption coefficient for soil:
log Koc = 4.4
Predicted partition coefficient solids water (Kp; equivalent to Kd, distribution coefficient for adsorption) for different environmental media:
Kp (Kd) = 500
Key value for chemical safety assessment
Other adsorption coefficients
- Type:
- log Kp (solids-water in effluent sewage sludge)
- Value in L/kg:
- 500
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in activated sewage sludge)
- Value in L/kg:
- 500
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in settled sewage sludge)
- Value in L/kg:
- 500
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in raw sewage sludge)
- Value in L/kg:
- 500
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in suspended matter)
- Value in L/kg:
- 500
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in sediment)
- Value in L/kg:
- 500
- at the temperature of:
- 20 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in soil)
- Value in L/kg:
- 500
- at the temperature of:
- 20 °C
Additional information
The organic carbon normalized adsorption coefficient for soil (Koc) is estimated using the model by Franco and Trapp (2008) for ionisable organic chemicals based on the n-octanol-water partition coefficient for the neutral substance and the pKa. Full details on the model (including references), applicability domain issues, results and interpretation are provided in the attached QMRF/QPRF.
The predicted log Koc for soil is for all DMA category members within the range of 4.38 to 4.40. Taking the accuracy of prediction into account, a rounded value of log Koc = 4.4 is used for all category members.
The partition coefficient solids water (Kp; equivalent to Kd, distribution coefficient for adsorption) derived from (unrounded) predicted log Koc values based on the EU default OC fraction in soil solids (0.02) is within the range of 477 to 506 L/kg. Taking the accuracy of prediction into account, a rounded value of Kp (Kd) = 500 is used for all category members.
As justified in detail in the attached QMRF/QPRF, this Kp (Kd) is appropriate to account for the solids adsorption of DMAs in all environmental media, i.e. soil, suspended matter, sediment, and the STP (raw sewage sludge, primary sludge, secondary sludge, effluent sewage sludge). The reason is that adsorption does not correlate with the organic carbon (OC) fraction of the medium.
All DMA category members are within the applicability domain of the model.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
