Registration Dossier
Registration Dossier
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EC number: 296-719-4 | CAS number: 93028-28-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Justification for type of information:
- The justification for use of QSAR is attached.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Deviations:
- not applicable
- Principles of method if other than guideline:
- Quantitative Structural-Activity Relationship based upon chemical structure devised from the SMILES code
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Media:
- soil
- Key result
- Type:
- Koc
- Value:
- 70 520 000 000 000 L/kg
- Validity criteria fulfilled:
- not applicable
- Remarks:
- QSAR estimation
- Conclusions:
- The adsoprtion coefficient is considered to be Koc: 7.052e+013 L/kg based on calculation by the EPI modelling programme
- Executive summary:
Removal of mineral oil is not possible without degrading the chemical structureof the substance. It was therefore considered acceptable to create a weight of evidence approach based upon Quantitative Structural-Activity Relationship (QSAR). The QSAR model of choice was the EPI Suite v4.0 published by the United States Environmental Protection Agency, which has estimated the adsorption coefficient to be Koc: 7.052e+013 L/kg
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Justification for type of information:
- The justification for use of QSAR is attached.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Deviations:
- not applicable
- Principles of method if other than guideline:
- Quantitative Structural-Activity Relationship based upon chemical structure devised from the SMILES code
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Media:
- soil
- Key result
- Type:
- Koc
- Value:
- 866 900 000 000 000 L/kg
- Validity criteria fulfilled:
- not applicable
- Remarks:
- QSAR estimation
- Conclusions:
- The adsoprtion coefficient is considered to be Koc: 8.669e+014 L/kg based on calculation by the EPI modelling programme
- Executive summary:
Removal of mineral oil is not possible without degrading the chemical structureof the substance. It was therefore considered acceptable to create a weight of evidence approach based upon Quantitative Structural-Activity Relationship (QSAR). The QSAR model of choice was the EPI Suite v4.0 published by the United States Environmental Protection Agency, which has estimated the adsorption coefficient to be Koc: 8.669e+014 L/kg
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
- Justification for type of information:
- The justification for use of QSAR is attached.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Deviations:
- not applicable
- Principles of method if other than guideline:
- Quantitative Structural-Activity Relationship based upon chemical structure devised from the SMILES code
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Media:
- soil
- Key result
- Type:
- Koc
- Value:
- 10 520 000 000 000 000 L/kg
- Validity criteria fulfilled:
- not applicable
- Remarks:
- QSAR
- Conclusions:
- The adsoprtion coefficient is considered to be Koc: 1.052e+016 L/kg based on calculation by the EPI modelling programme
- Executive summary:
Removal of mineral oil is not possible without degrading the chemical structure of the substance. It was therefore considered acceptable to create a weight of evidence approach based upon Quantitative Structural-Activity Relationship (QSAR). The QSAR model of choice was the EPI Suite v4.0 published by the United States Environmental Protection Agency, which has estimated the adsorption coefficient to be Koc: 1.052e+016 L/kg
Referenceopen allclose all
Description of key information
Key value for chemical safety assessment
- Koc at 20 °C:
- 3 553 680 000 000 000
Additional information
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