Formamide, N,N'-1,4-phenylenebis-, reaction products with 4-methyl-1,3-benzenediamine and sulfur, leuco derivatives

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

9 March - 29 March, 2017

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

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

July 27, 1995

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

19 March 2014

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

March, 1998

Deviations:

no

Principles of method if other than guideline:

Solubility is below 0.01 g/l, so the column elution method should be applied according to the guideline. However column elution method is not feasible with this test item, because coating of the support material is not possible, due to the low solubility of the test item in any solvent. Therefore the flask method was applied.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Formamide, N,N'-1,4-phenylenebis-, reaction products with 4-methyl-1,3-benzenediamine and sulfur, leuco derivatives

EC Number:

276-059-3

EC Name:

Formamide, N,N'-1,4-phenylenebis-, reaction products with 4-methyl-1,3-benzenediamine and sulfur, leuco derivatives

Cas Number:

71838-68-1

Molecular formula:

not applicable

IUPAC Name:

Reaction product of formamide, N,N'-1,4-phenylenebis- with 4-methyl-1,3-benzenediamine and sulfur, leuco derivatives

Test material form:

solid: particulate/powder

Details on test material:

Test Item: Leuco Sulfur Brown 26
Appearance: Dark, near black powder

Specific details on test material used for the study:

Expiry date April 19, 2021

Results and discussion

Water solubility

Key result

Water solubility:

9.3 mg/L

Conc. based on:

test mat.

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 7.65 - <= 7.74

Details on results:

Calibration

The calibration solutions were prepared in 0.2 – 20 µg/mL range.
The calibration samples were analysed by spectrophotometric method with three replicates from each.

The measured concentrations are constant within ± 15 % and thus within the range required by the guidelines.

Validation Results

Leuco Sulfur Brown 26 in water was analysed by the previously validated spectrophotometric method (Study No.: 805-100-2589).

Any other information on results incl. tables

Table 1: Results of the determination of the test item concentrations

Sampling time	Measured concentration of the test item [mg/L]		Measured pH
	Test vessels	Mean with the 95% confidence intervals
After 24 hours	8.88 8.87 8.68	8.81± 0.28	7.73 7.69 7.72
After 48 hours	9.19 9.30 10.30	9.60± 1.52	7.68 7.70 7.72
After 72 hours	9.14 9.67 9.41	9.41± 0.65	7.65 7.74 7.58
Solubility of the test item (mg/L)	9.27 ± 1.02	-
RSD%	4	-
Ultra-pure water		< LOQ	6.88

Applicant's summary and conclusion

Conclusions:

The water solubility was determined to be 9.3 ± 1.02 mg/L (95% confidence interval) at 20 °C ± 1 °C using the shake-flask method for the performance.

Executive summary:

In the course of this study the water solubility was determined at 20 °C ± 1 °C using the shake-flask method for the performance of the main test. The water solubility: 9.3 ± 1.02 mg/L (95% confidence interval).