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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Water solubility

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Administrative data

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Endpoint:
water solubility
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
Other quality assurance:
other: ISO 9001
Type of method:
other: QSAR
Key result
Water solubility:
0 mg/L
Remarks on result:
other: QSAR estimation, information on concentration, loading of aquesous phase, incubation duration, temperature and pH are not available.
Conclusions:
The water solubility is considered to be 1.0127e-006 mg/L 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 water solubility to be 1.0127e-006 mg/L

Endpoint:
water solubility
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
Other quality assurance:
other: ISO 9001
Type of method:
other: QSAR
Key result
Water solubility:
0 mg/L
Remarks on result:
other: QSAR estimation, information on concentration, loading of aqueous phase, incubation, temperature and pH are not available.
Conclusions:
The water solubility is considered to be 1.0688e-006 mg/L 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 water solubility to be 1.0688e-006 mg/L

Endpoint:
water solubility
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
Other quality assurance:
other: ISO 9001
Type of method:
other: QSAR
Key result
Water solubility:
0 mg/L
Remarks on result:
other: QSAR estimation, information on concentration, loading of aqueous phase, incubation, temperature and pH are not available.
Conclusions:
The water solubility is considered to be 1.125e-006 mg/L 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 water solubility to be 1.125e-006 mg/L

Description of key information

Key value for chemical safety assessment

Water solubility:
0 mg/L

Additional information