Registration Dossier
Registration Dossier
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EC number: 229-114-0 | CAS number: 6413-10-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- 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:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Justification for type of information:
- The substances adsorption/desorption co-efficient was estimated using the KOCWIN estimation software package published by the US Environmental Protection Agency.
Since the introduction of the original PCKOC program in 1992, the number of available experimental Koc values has grown significantly. Using an expanded experimental dataset and the original PCKOC methodology, the QSAR equations were re-regressed to derive updated coefficient values. In addition, several new group contribution factors (correction factors) were added to improve estimation accuracy. Also, the updated KOCWIN program includes a separate Koc estimate based upon Log Kow (rather than MCI). - Guideline:
- other: REACH guidance on QSARs (Chapter R.6), May/July 2008
- Principles of method if other than guideline:
- No guideline mentioned in data source.
- GLP compliance:
- no
- Type of method:
- other: Estimation software
- Key result
- Type:
- Koc
- Value:
- 24.97 L/kg
- Remarks on result:
- other: Koc value of 24.97 L/kg predicted using estimated partition coefficient value.
- Key result
- Type:
- log Koc
- Value:
- 1.397 dimensionless
- Remarks on result:
- other: log Koc value of 1.397 predicted using estimated partition coefficient value.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The estimation software gives a Koc value for the substance of 24.97 equivalent to log Koc 1.397.
- Executive summary:
The substances adsorption/desorption co-efficient was estimated using the KOCWIN estimation software package published by the US Environmental Protection Agency. The estimation software gives a Koc value for the substance of 24.97 equivalent to log Koc 1.397.
Reference
The estimation software gives a Koc value for the substance of 24.97 equivalent to log Koc 1.397.
Description of key information
The estimation software gives a Koc value for the substance of 24.97 equivalent to log Koc 1.397.
Key value for chemical safety assessment
- Koc at 20 °C:
- 24.97
Additional information
The estimation software gives a Koc value for the substance of 24.97 equivalent to log Koc 1.397.
[LogKoc: 1.397]
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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