Reaction product of phthalogen-brilliantblue IF3G with phenylguanazole and iron(II)-chloride

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-01-15 - 2018-01-19

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

[8,20-dihydro-8,20-diphenyl-5,24:12,17-diimino-7,10:22,19-dinitrilodibenz[f,p][1,2,4,9,11,12,14,19]octaazacycloicosinato(2-)-N25,N26,N27,N28]iron

EC Number:

256-526-8

EC Name:

[8,20-dihydro-8,20-diphenyl-5,24:12,17-diimino-7,10:22,19-dinitrilodibenz[f,p][1,2,4,9,11,12,14,19]octaazacycloicosinato(2-)-N25,N26,N27,N28]iron

Cas Number:

50293-39-5

Molecular formula:

C32H18FeN12

IUPAC Name:

[8,20-dihydro-8,20-diphenyl-5,24:12,17-diimino-7,10:22,19-dinitrilodibenz[f,p][1,2,4,9,11,12,14,19]octaazacycloicosinato(2-)-N25,N26,N27,N28]iron

Test material form:

solid

Remarks:

dark brown

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: sponsor

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Refrigerated (5 ± 3°C)

Results and discussion

Water solubility

Water solubility 1

Key result

Water solubility:

<= 11.2 µg/L

Conc. based on:

test mat.

Temp.:

20 °C

Remarks on result:

other: pH value not available

Water solubility 2

Water solubility:

<= 1 µg/L

Conc. based on:

element

Remarks:

Fe

Temp.:

20 °C

Remarks on result:

other: Analytical method was established with Fe as analyte

Applicant's summary and conclusion

Conclusions:

Water solubility of the test item was performed according to OECD 105 under GLP using the column elution method, which was chosen as the substance was considered to have a water solubility below 10E-2 g/L. Quantification of the solved material was performed using ICP-OES by determination of the iron contained in the test item. An iron concentration of 1 μg/L corresponds to about 11.2 μg/L for the idealized structure of the test item. So, the method is considered suitable and the results are considered sufficiently reliable. The water solubility of the test item is below or equal to the detection limit of the analytical method (1 μg/L Fe) and hence appears insoluble in water. With reference to column 2 of Annex VII to REACH “If the substance appears ‘insoluble’ in water, a limit test up to the detection limit of the analytical method shall be performed”, the water solubility of the test item is reported as ≤11.2 μg/L. So the substance must be considered insoluble in water.

Executive summary:

The test item was analysed for water solubility according to OECD Guideline 105 under GLP, using the column elution method.

The concentration of the test item in the collected fractions was calculated from the iron content determined by ICP-OES.

The water solubility of the test item is below or equal to the detection limit of the analytical method (1 μg/L Fe) and hence appears insoluble in water.

An iron concentration of 1 μg/L corresponds to about 11.2 μg/L for the idealized structure of the test item.

With reference to column 2 of Annex VII to REACH “If the substance appears ‘insoluble’ in water, a limit test up to the detection limit of the analytical method shall be performed”, the water solubility of the test item is reported as ≤11.2 μg/L.

(See also “Guidance on Information Requirements and Chemical Safety Assessment Chapter R.7a: Endpoint specific guidance”, Version 6.0, July 2017, page 66ff).

The water solubility of the test item was determined to ≤11.2 μg/L.

The water solubility was determined at 20 °C. The pH value of the collected aqueous fractions could not be determined since HNO3 was immediately added for stabilization.