Registration Dossier
Registration Dossier
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EC number: 263-336-9 | CAS number: 61931-80-4
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Molecular Connectivity Index method
- Justification for type of information:
- See attached justification documents
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR KOCWIN prediction (Epiweb4.1)
- Key result
- Type:
- Koc
- Value:
- 824.7 L/kg
- Temp.:
- 25 °C
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Based on Molecular Connectivity Index method, KOCWIN estimated Koc is 824.7 L/kg (log Koc = 2.92).
- Executive summary:
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 6.932
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 4.2133
Fragment Correction(s):
1 Ester (-C-CO-O-C-) or (HCO-O-C) ...... : -1.2970
Corrected Log Koc .................................. : 2.9163
Estimated Koc: 824.7 L/kg <===========
Reference
Description of key information
Based on Molecular Connectivity Index method, KOCWIN estimated Koc is 824.7 L/kg.
Key value for chemical safety assessment
- Koc at 20 °C:
- 824.7
Additional information
[LogKoc: 2.92]
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