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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

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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