Registration Dossier
Registration Dossier
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EC number: 222-020-0 | CAS number: 3319-31-1
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- June 15, 2020
- 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 limited documentation / justification
- Justification for type of information:
- See the attached justification.
- Qualifier:
- according to guideline
- Guideline:
- other: ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals
- Principles of method if other than guideline:
- See the justification for type of information.
- Type of method:
- other: in silico
- Water solubility:
- 0.002 µg/L
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- The predicted water solubility of tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate, calculated with the EPA model WATERNT v1.01, is 1.8E-3 μg/L at 25 deg C.
- Executive summary:
The predicted water solubility of tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate, calculated with the EPA model WATERNT v1.01, is 1.8E-3 μg/L at 25 deg C.
The above substance is estimated as insoluble in water.
Reference
Description of key information
Water solubility: 1.8E-3 µg/L at 25 deg C
Key value for chemical safety assessment
- Water solubility:
- 0.002 µg/L
- at the temperature of:
- 25 °C
Additional information
Water solubility has been determined using the flask method. Separate studies have reported values of 3.06 μg/L, 0.386 µg/L and 0.13 mg/L at 25 deg C.
In view of the low solubility and difficulties in determining a reliable experimental value, the water solubility of the test material has been further calculated using the model EPA WATERNT v1.01 with the EVA approach, using the well know water solubility (3 μg/L) of bis(2-ethylhexyl) benzene-1,2-dicarboxylate (DEHP) as reference.
It was so predicted that tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate (TOTM) has a water solubility of 1.8E-3 μg/L at 25 deg C.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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