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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 817-668-1 | CAS number: 667899-24-3
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 adequate and reliable documentation / justification
- Remarks:
- Data estimated by KOCWIN v2.00 (EPIWEB v 4.11) followed by calculation to determine weighted mean. KOCWIN v2.00 uses a valid estimation method; test substance was found to fall in the applicability domain of this method and results are adequate for the purpose of classification and labeling and/or risk assessment
- Justification for type of information:
- See below under 'Overall remarks, attachments' for applicability domain.
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Principles of method if other than guideline:
- Since the substance is a UVCB with different components, the Koc values were first calculated for the individual components using the MCI approach of KOCWIN v2.00 program, followed by calculation of weighted average using the mole fractions of all the individual components.
- Type of method:
- other: computational method
- Computational methods:
- Initially, using the MCI approach of KOCWIN v2.00 program, the values of the Koc were calculated for the individual components. The value of the Koc for the substance was finally calculated on a weighted-average basis using the mole fractions of all the individual components.
- Key result
- Type:
- log Koc
- Remarks:
- estimated by KOCWIN v2.00
- Value:
- 9.093 dimensionless
- Remarks on result:
- other: estimated by KOCWIN v2.00
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The adsorption coefficient (log Koc) for the substance using MCI method of KOCWIN v2.00 program (EPIWEB v 4.11) was estimated to be 9.093.
- Executive summary:
The adsorption coefficient (log Koc) of the substance was estimated using the MCI method of KOCWIN v2.00 program (EPIWEB v4.11). Since the substance is a UVCB, the Koc values were calculated for the individual components and an overall value was determined on a weighted-average basis using the mole fractions of all the individual components.The log Koc for the substance was estimated 9.093 (US EPA, 2017).
Reference
| Components | Mass fraction (mi) | Molecular weight (Mi, g/mol) | mi/Mi | Mole fraction Xi = (mi/Mi)/∑ (mi/Mi) | Log Koc (based on MCI) | Log Koc * xi (mole fraction) |
| Constituent 1 | 0.0530 | 641.0000 | 0.000083 | 0.059751 | 9.27 | 0.554072 |
| Constituent 2 | 0.1110 | 627.0000 | 0.000177 | 0.127933 | 9.04 | 1.156389 |
| Constituent 3 | 0.0830 | 613.0000 | 0.000135 | 0.097847 | 8.81 | 0.861539 |
| Constituent 4 | 0.1290 | 641.0000 | 0.000201 | 0.145432 | 9.30 | 1.352371 |
| Constituent 5 | 0.1900 | 627.0000 | 0.000303 | 0.218985 | 9.07 | 1.985097 |
| Constituent 6 | 0.0910 | 613.00 | 0.000148 | 0.107278 | 8.83 | 0.947475 |
| Constituent 7 | 0.1080 | 641.00 | 0.000168 | 0.121757 | 9.33 | 1.135505 |
| Constituent 8 | 0.1050 | 627.00 | 0.000167 | 0.121018 | 9.09 | 1.100295 |
| ∑ | 0.8700 | 0.001384 | 9.093 |
Description of key information
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 238 796 587
Additional information
[LogKoc: 9.093]
[LogKoc: 9.09]
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.
