Registration Dossier
Registration Dossier
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EC number: 947-750-3 | CAS number: -
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:
- accepted calculation method
- Justification for type of information:
- The Koc has been estimated from EpiSuite. Only components present in concentration above 1wt% were included.
EpiSuite calculations on all identified components in the UVCB substance (>1wt%) have then been carried out and used. The below smiles notations were used:
C(O)C(O)C(O)
OCC(O)COCC(O)C(O)
OCC(O)COCC(O)COCC(O)CO
C(O)C(O)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(O)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(O)C(OC(=O)CCCCCCCCCCCCC)
OCC(O)COCC(O)C(OC(=O)CCCCCCCCCCCCCCC)
OCC(O)COCC(O)C(OC(=O)CCCCCCCCCCCCCCCCC)
OCC(O)COCC(O)COCC(OC(=O)CCCCCCCCCCC)CO
OCC(O)COCC(OC(=O)CCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)
OCC(O)COCC(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC) - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The Koc has been estimated from EpiSuite
- GLP compliance:
- no
- Type of method:
- other: Calculation
- Media:
- other: Organic carbon
- Test temperature:
- 25oC
- Computational methods:
- LogKoc has been calculated by Epi Suite using the calculated logPow.
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- > 1.8 - <= 6.5 L/kg
- pH:
- 7
- Temp.:
- 25 °C
- % Org. carbon:
- 100
- Validity criteria fulfilled:
- yes
- Conclusions:
- The organic carbon-water partition coefficient, log KOC, is found to be in the range of 1.8 to 6.5 for all substances present in >1wt% in the UVCB-substance. The concentration weighted average was found at 2.1-3.1. These findings are based on US EPA Epi Suite v4.0 calculations.
- Executive summary:
The organic carbon-water partition coefficient, log KOC, is found to be in the range of 1.8 to 6.5 for all substances present in >1wt% in the UVCB-substance. The concentration weighted average was found at 2.1-3.1. These findings are based on US EPA Epi Suite v4.0 calculations.
Reference
Description of key information
The organic carbon-water partition coefficient, log KOC, is found to be in the range of 1.8 to 6.5 for all substances present in >1wt% in the UVCB-substance. The concentration weighted average was found at 2.1-3.1. These findings are based on US EPA Epi Suite v4.0 calculations.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 166
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.
