[1,1'-Bianthracene]-9,9',10,10'-tetrone, 4,4'-bis[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]-

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

Jan 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Because of unsolubility in water a calculation of the water solubility using QSAR methods was performed.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Cross-reference 2

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Principles of method if other than guideline:

Under consideration of the expected value of the water solubility a suitable analytical method is not possible to perform. Bearing this in mind, the
calculated values of the QSAR methods are taken for a evaluation of the water solubility. Therefore the substance can be assumed as highly insoluble
in water (< 0.1 mg/l at 25 °C).

Type of method:

other: WATERNT 1.01 and WSKOWWIN 1.42 (“EPISUITE”) were used for calculation

Test material

Test material information

Constituent 1

Reference substance name:

308 AQN

IUPAC Name:

308 AQN

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Details on test material:

- Name of test material (as cited in study report): 308 AQN

Results and discussion

Water solubility

Water solubility:

< 0.1 mg/L

Temp.:

25 °C

Details on results:

Both QSAR methods show that the substance is highly insoluble in water. The calculation by WATERNT 1.01 reaches the calculation minimal limit of
1.1154 * 10-6 mg/l at 25 °C (1.1154 nanogrammes/liter). The calculation by WSKOWWIN 1.42 shows a value of 1.14 * 10-14 mg/l at 25 °C
(11.4 attogrammes/liter).

Any other information on results incl. tables

Because of the type of method (calculation) no pH value can be given.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
It can be concluded that the substance is highly insoluble in water (water solubility < 0.1 mg/L at 25 °C).

Executive summary:

Due to the physical properties of the substance and the lack of a suitable analytical method an experimental derived value is not available. Accurate measurements of the water solubility of high molecular weight organic compounds like dye in this case are notoriously difficult. QSAR values of the water solubility are very low (1.14 * 10-14 mg/L at 25 °C) or below the calculation limit of a method (< 1.1154 * 10-6 mg/L at 25 °C).