Registration Dossier
Registration Dossier
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EC number: 271-968-1 | CAS number: 68647-71-2
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Remarks:
- adsorption/desorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- Not reported
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Derived using calculation method software which has been validated for organic substances.
- Justification for type of information:
- QSAR is based on calculation method software which has been validated for organic substances.
- Guideline:
- other: Guidance on information requirements and chemical safety assessment, Chapter R.6: QSARs and grouping of chemicals (May 2008, ECHA)
- Principles of method if other than guideline:
- The substance's adsorption/desorption co-efficient was estimated using the EUSES version 2.1.2 software package published by the European Commission which has been validated for organic substances.
- GLP compliance:
- no
- Type of method:
- other: Estimation software
- Computational methods:
- A log Pow value of 6.4 was used for the calculation.
- Key result
- Type:
- Koc
- Value:
- 192 000 L/kg
- Remarks on result:
- other: Koc value of 192000 L/kg predicted using estimated partition coefficient value.
- Key result
- Type:
- log Koc
- Value:
- 5.3 dimensionless
- Remarks on result:
- other: log Koc value of 5.3 predicted using estimated partition coefficient value.
- Validity criteria fulfilled:
- not applicable
- Remarks:
- The software used for the calculation has been validated for organic substances.
- Conclusions:
- The estimation software gives a Koc value for the substance of 192000, equivalent to log Koc 5.3.
- Executive summary:
The substance's adsorption/desorption co-efficient was estimated using the EUSES version 2.1.2 software package published by the European Commission. The estimation software gives a Koc value for the substance of 192000, equivalent to log Koc 5.3.
Reference
The estimation software gives a Koc value for the substance of 192000, equivalent to log Koc 5.3.
Description of key information
Key value for chemical safety assessment
- Koc at 20 °C:
- 192 000
Additional information
For the environmental risk assessment, a KOC value of 192000 L/kg (log KOC of 5.3) was calculated within EUSES 2.1.2 based on the log Kow of 6.4.
[LogKoc: 5.3]
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