2,4,6-tri-n-propyl-2,4,6-trioxo-1,3,5,2,4,6-trioxatriphosphorinane

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

1995

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

comparable to guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

92/69/EWG, appendix A.6

GLP compliance:

yes

Type of method:

other: visual experiments

Key result

Water solubility:

> 1 000 g/L

Remarks on result:

other: pH and T not specified

Details on results:

The results point ot a high water solubility of the test substance (>1 kg/L). Since the test substance is extremely instabel in aqueous solutions (see IUCLID Section 5.1.2) the high degree of water solubility is due to the hydrolysis products of the test substance.

Conclusions:

The results point ot a high water solubility of the test substance (>1 kg/L). Since the test substance is extremely instabel in aqueous solutions (see IUCLID Section 5.1.2) the high degree of water solubility is due to the hydrolysis products of the test substance.

Reference 2

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

Qualifier:

according to guideline

Guideline:

other: REACH guidance on QSARs R.6

Deviations:

no

Principles of method if other than guideline:

Calculation using WSKOWWIN v1.42 as part of EPISUITE

GLP compliance:

no

Type of method:

other: Calculation

Specific details on test material used for the study:

SMILES: CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC

Key result

Water solubility:

9 600 mg/L

Temp.:

25 °C

Remarks on result:

other: The substance is within the applicability domain of the model

Conclusions:

Using WSKOWWIN v1.42 the water solubility of the test item was calculated to be 9600 mg/L at 25 °C. The substance is (not) within the applicability domain of the model. (Thus the estimation may be less accurate.)

Executive summary:

The water solubility was calculated using WSKOWWIN v1.42 as part of EPISuite v4.11 from US Environmental Protection Agency.

Using WSKOWWIN v1.42 the water solubility of the test item was calculated to be 9600 mg/L at 25 °C (EPI Suite, 2014).

The adequacy of a prediction depends on the following conditions:

a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;

b) the (Q)SAR model isapplicable to thequery chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;

c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;

d) the (Q)SAR model isrelevant for theregulatory purpose.

 

For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.

 

Description of the prediction Model

The prediction model was descripted using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file. 

 

Assessment of estimation domain

The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.

Description of key information

The results point ot a high water solubility of the test substance (>1 kg/L). Since the test substance is extremely instabel in aqueous solutions (see IUCLID Section 5.1.2) the high degree of water solubility is due to the hydrolysis products of the test substance. With EPISuite two values for water solubility can be calculated. For further use the lowest value is selected, which is 9600 mg/L.

Key value for chemical safety assessment

Water solubility:

9 600 mg/L

at the temperature of:

25 °C