Registration Dossier
Registration Dossier
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EC number: 220-076-0 | CAS number: 2623-23-6
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- 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:
- For detailed description on the model and its applicability, see attached QMRF and QPRF document.
- Principles of method if other than guideline:
- Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA
- GLP compliance:
- no
- Type of method:
- other: calculation
- Media:
- soil
- Type:
- log Koc
- Value:
- 2.69 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimate from MCI
- Type:
- Koc
- Value:
- 493 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimate from MCI
- Type:
- log Koc
- Value:
- 3.29 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimate from Log Kow based on experimental log Kow
- Type:
- Koc
- Value:
- 1 940 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimate from Log Kow based on experimental log Kow
- Conclusions:
- The (Q)SAR prediction resulted in a low to moderate potential of the substance for adsorption to organic soil and sediment particles (log Koc: 2.69 - 3.29).
Reference
Description of key information
The log Koc was estimated by (Q)SAR calculations to be 2.69 (based on MCI) and 3.29 (based on log Pow) indicating a low to moderate potential for adsorption to soil and sediment particles.
As key value for the chemical safety assessment the mean value of the (log) Koc based on MCI and log Koc based on the experimental log Pow was used.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 216.5
Additional information
No experimental studies investigating the adsorption/desorption potential of the target substance are available. Therefore, the log Koc was calculated using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) and based on the log Pow (based on the experimental log Pow). Calculations resulted in log Koc values of 2.69 (based on log Pow) and 3.29 (based on MCI), indicating that the substance has a low to moderate potential to adsorb to organic soil and sediment particles.
As key value for the chemical safety assessment the mean value of both calculations was used. The KOCWIN v2.00 calculation results are based on a temperature of 25°C. We are aware that the key value should be given for 20°C instead of 25°C, but we consider the temperature difference as not relevant for the result.
[LogKoc: 2.99]
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.
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