Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 302-853-7 | CAS number: 94134-83-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- 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 limited documentation / justification
- Justification for type of information:
- Documentation about the justification is provided in attachment.
This endpoint study record provides two separate QSAR predictions (based on different methodologies) which are consistent each other. Since data sources agree in the estimated value of Koc, they are deemed to be sufficient to fulfil the information requirements. - Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
- Sample No.:
- #1
- Type:
- Koc
- Remarks:
- Koc Estimate from MCI.
- Value:
- 1 463 000 L/kg
- Remarks on result:
- other: temperature and pH value are not stated by the QSAR model.
- Sample No.:
- #2
- Type:
- Koc
- Remarks:
- Koc Estimate from Log Kow.
- Value:
- 9 983 000 L/kg
- Remarks on result:
- other: temperature and pH value are not stated by the QSAR model.
- Key result
- Sample No.:
- #3
- Type:
- Koc
- Remarks:
- Consensus method (i.e. mean value)
- Value:
- 5 723 000 L/kg
- Remarks on result:
- other: temperature and pH value are not stated by the QSAR models.
- Validity criteria fulfilled:
- yes
- Remarks:
- The reliability of the prediction is deemed to acceptable as the compound falls into the applicability domain of the model.
- Conclusions:
- The predicted Koc is equal to 5,723,000 L/kg (mean value).
Reference
The result appears to be reliable as the predicted compound falls into the applicability domain of the model. Moreover, consistent results have been obtained by two separate calculation methodologies (i.e. "Koc estimate from MCI" and " Koc estimate from Log Kow").
Description of key information
The substance has a predicted Koc of 5,723,000 L/kg (mean value).
Key value for chemical safety assessment
- Koc at 20 °C:
- 5 723 000
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
