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Environmental fate & pathways

Adsorption / desorption

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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

Description of key information

Key value for chemical safety assessment

Koc at 20 °C:
3 553 680 000 000 000

Additional information