Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(4-chlorophenyl)-2,5-dihydro-

Solubility in organic solvents / fat solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1986

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The study performed in accordance with EEC Directive and in compliance with GLP.

Qualifier:

according to guideline

Guideline:

other: EEC directive 84/449 A.7

Deviations:

yes

Remarks:

only preliminary test performed

GLP compliance:

yes

Specific details on test material used for the study:

Test substance: CROMOPHTAL DPP Rot B

Key result

Medium:

standard fat

Remarks:

Fat simulant HB 307

Solubility:

< 10 mg/100 g solvent

Temp.:

37 °C

Remarks on result:

other: visual assessment

Test substance stable:

not determined

Details on results:

Because of the extremely low solubility of the test substance in solvents, an analytical method for the quantification of the test substance could not be worked out. Therefore, the virtual test was not performed. The result of the preliminary test is adopted as the upper limit of the fat solubility.

Conclusions:

The fat solubility of the test substance was determined to be < 10 mg/100 g of fat at 37°C.

Executive summary:

The fat solubility of the substance was determined in a preliminary test according EEC directive 84/449 A.7 as < 10 mg/100g fat at 37°C.

Reference 2

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1986

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The study performed in accordance with EEC Directive and in compliance with GLP.

Justification for type of information:

1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The read-across is performed between two forms of the same substance. The identities of the two forms are describe below.

2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
The source form is 3,6-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrol-1,4-dione (EC-no. 401-540-3), referred to here as PR254. PR254 is an organic mono-constituent substance with a typical purity of > 99.5% (w/w). It does not contain any impurity relevant for classification or labelling of the substance.
The target form is the nanoform of the source substance, referred to here as PR254 nanoform. As the source form, it has a typical purity of > 99.5% (w/w) and it does not contain any impurity relevant for classification or labelling of the substance. The PR254 nanoform is spheroidal with a pure polyhedral shape and is not surface-treated.

3. ANALOGUE APPROACH JUSTIFICATION
The two analogue forms have the same structure. Under ambient atmosphere, the specific surface energy of particles increases with decreasing particle size. Therefore, particle aggregate to reach an energy minimum. The driving forces are hydrogen bonds and van der Waals forces (π-π interaction). Substantial energy is required to disperse the PR254 nanoform aggregates to particles that fall under the nanoform definition.
PR254 was been tested extensively addressing information requirements of Annexes VII to IX without identifying any biological target. PR254 nanoform could potentially have biological targets due to the different particle size distribution, which would require processes capable of dispersing the aggregates, e.g. in aqueous milieu. However, both forms have been tested according to OECD Test Guideline 318, demonstrating that PR254 nanoform cannot be dispersed under the condition of the study, i.e. immediately after sonification re-forms aggregates. Also, PR254 aggregates to a large extent, but can be more easily dispersed than the nanoform. The experiments demonstrated that exposure in aqueous milieu will be primarily to aggregates, regardless of the PR254 form.
Therefore, it is concluded that both forms will behave identically in studies, in which they are applied under atmospheric conditions and/or in aqueous milieus, so that for the PR254 nano-form no specific biological targets need to be considered.
Most physico-chemical properties (PCP) are inherent properties of a substance, which are not affected by the substance form. In addition, many PCP are determined starting the experimental procedure under ambient conditions, at which both forms have a similar particle size distribution. Therefore, the fat solubility will also be similar and the read-across from the source to the target form is scientifically justified.


4. DATA MATRIX
The data matrix is included as Annex 1 in the assessment report ‘PR254 bulk nano analogue approach 210111’ attached here below under ‘Attached justification’.

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

other: EEC directive 84/449 A.7

Deviations:

yes

Remarks:

only preliminary test performed

GLP compliance:

yes

Specific details on test material used for the study:

Test substance: CROMOPHTAL DPP Rot B

Key result

Medium:

standard fat

Remarks:

Fat simulant HB 307

Solubility:

< 10 mg/100 g solvent

Temp.:

37 °C

Remarks on result:

other: visual assessment

Test substance stable:

not determined

Details on results:

Because of the extremely low solubility of the test substance in solvents, an analytical method for the quantification of the test substance could not be worked out. Therefore, the virtual test was not performed. The result of the preliminary test is adopted as the upper limit of the fat solubility.

Conclusions:

The fat solubility of the test substance was determined to be < 10 mg/100 g of fat at 37°C.

Executive summary:

The fat solubility of the substance was determined in a preliminary test according EEC directive 84/449 A.7 as < 10 mg/100g fat at 37°C.

Description of key information

The fat solubility of the test substance was determined to be  < 10 mg/100 g of fat at 37°C.

Key value for chemical safety assessment

Solubility in mg/100g standard fat:

10

At the temperature of:

37 °C

Additional information

The solubility was < 10 mg/100g fat.