Registration Dossier
Registration Dossier
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EC number: 205-447-7 | CAS number: 141-01-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- Data is from CompTox Chemistry Dashboard database.
- Qualifier:
- according to guideline
- Guideline:
- other: Refer below principle
- Principles of method if other than guideline:
- Prediction done using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical)
- GLP compliance:
- no
- Media:
- soil
- Radiolabelling:
- no
- Analytical monitoring:
- no
- Key result
- Sample No.:
- #1
- Type:
- Koc
- Value:
- 8.69 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Predicted database
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption i.e Koc for test substance was estimated to be 8.69 dimensionless. This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
- Executive summary:
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption i.e Koc for test substance was estimated to be 8.69 dimensionless. (Log Koc is 0.939). This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Reference
Description of key information
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption i.e Koc for test substance was estimated to be 8.69 dimensionless. (Log Koc is 0.939). This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Key value for chemical safety assessment
- Koc at 20 °C:
- 8.69
Additional information
Summarized result for the determination of adsorption of test chemical and structurally and functionally similar read across chemicals are as mentioned below:
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption i.e Koc for test substance was estimated to be 8.69 dimensionless. (Log Koc is 0.939). This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Above data further supported by the second weight of evidence report. The Koc of test chemical was determined using a structure estimation method based on molecular connectivity indices. The Koc of test chemical can be estimated to be 7 (Log Koc is 0.845), using a structure estimation method based on molecular connectivity indices. This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Based on the data obtained from the authoritative database, the Koc of test chemical was determined using a structure estimation method based on molecular connectivity indices. The Koc of test chemical can be estimated to be 7 (Log Koc is 0.845), using a structure estimation method based on molecular connectivity indices. This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Thus, on the basis of above all data from various sources, the log Koc value of test chemical ranges from 0.845 to 0.939, which indicates that the chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
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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