Registration Dossier
Registration Dossier
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EC number: 701-404-6 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- 1. SOFTWARE
EPISUITE
2. MODEL (incl. version number)
ECOSAR v1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CC(C)(c3ccc(cc3)O)c2ccc(cc2)OC1C(O1)CCLC(CNCCN)N - Qualifier:
- no guideline available
- Principles of method if other than guideline:
- - Software tool(s) used including version: KOCWIN
Method: MCI - Key result
- Type:
- Koc
- Value:
- 93.6 L/kg
- Remarks on result:
- other: QSAR Prediction value
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 14.87 L/kg (MCI method)
Log Koc: 1.172 (MCI method)
Koc : 0.5664 L/kg (Kow method)
Log Koc: -0.247 (Kow method)
Reference
Description of key information
Key value for chemical safety assessment
- Koc at 20 °C:
- 93.6
Additional information
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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