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Water solubility

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Reference
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.

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.