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EC number: 288-917-4 | CAS number: 85940-28-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The quoted value is an estimate based on an internationally recognised modelling programme
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other:
- Title:
- Unnamed
- Year:
- 2 010
Materials and methods
- Principles of method if other than guideline:
- Quantitative Structural-Activity Relationship based upon chemical structure devised from the SMILES code drawn from a database of >40,000 chemicals (called PHYSPROP©) that is included in the EPI Suite™ software
Test material
- Reference substance name:
- Phosphorodithioic acid, mixed O,O-bis(2-ethylhexyl and iso-Bu and iso-Pr) esters, zinc salts
- EC Number:
- 288-917-4
- EC Name:
- Phosphorodithioic acid, mixed O,O-bis(2-ethylhexyl and iso-Bu and iso-Pr) esters, zinc salts
- Cas Number:
- 85940-28-9
- Molecular formula:
- C23.H50.O4.S4.P2.Zn
- IUPAC Name:
- Phosphorodithioic acid, mixed O,O-bis(2-ethylhexyl and iso-Bu and iso-Pr) esters, zinc salts
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 0 mg/L
- Temp.:
- 20 °C
- Remarks on result:
- other: The water solubility of the substance is considered to be 1.62E-05mg/L at 20oC based on a QSAR driven by the EPI Suite v4.0
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The water solubility of the substance is considered to be 1.62E-05mg/L at 20oC based on a QSAR driven by the EPI Suite v4.0 - 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 water solubility to be1.62E-05mg/L at 20oC.
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