1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

29 Aug - 15 Sep 2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2014

Report date:

2014

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Remarks:

Landesamt für Umwelt, Wasserwirtschaft und Gewerbeaufsicht, Mainz, Germany

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone

EC Number:

270-931-7

EC Name:

1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with phenyl(2,3,4-trihydroxyphenyl)methanone

Cas Number:

68510-93-0

Molecular formula:

all potential esters of C10HH5O3N2SCl and C13H10O4

IUPAC Name:

3-benzoyl-2-hydroxy-6-({[5-oxo-6-(λ⁵-diazynylidene)-5,6-dihydronaphthalen-1-yl]sulfonyl}oxy)phenyl 5-oxo-6-(λ⁵-diazynylidene)-5,6-dihydronaphthalene-1-sulfonate; 4-benzoyl-2,3-bis({[5-oxo-6-(λ⁵-diazynylidene)-5,6-dihydronaphthalen-1-yl]sulfonyl}oxy)phenyl 5-oxo-6-(λ⁵-diazynylidene)-5,6-dihydronaphthalene-1-sulfonate; 4-benzoyl-2,3-dihydroxyphenyl 5-oxo-6-(λ⁵-diazynylidene)-5,6-dihydronaphthalene-1-sulfonate

Test material form:

solid

Specific details on test material used for the study:

Storage conditions: room temperature (20 ± 5 °C); keep away from light; do not close airtight

Results and discussion

Water solubility

Water solubility:

>= 3.99 - <= 11.9 mg/L

Conc. based on:

other: dissolved organic carbon

Temp.:

20 °C

Remarks on result:

other: results are based on nominal concentrations of 312 - 1003 mg/L

Any other information on results incl. tables

Results
Measurements on days 11 and 12 (flasks 1C, 1A) and on day 14 (flasks 3 – 6) were included in the calculation of the test item solubility in water.

Table 1 – Measurements used for solubility calculation

Flask #	Measured test item concentration [mg/L]	Nominal test item concentration [mg/L]	Dissolved part [%]
2	< LOQ	-	-
3	3.99	312	1.28
1*	6.48	501	1.30
4	7.52	600	1.25
5	8.25	798	1.03
6	11.90	1003	1.19

*mean value of flasks 1A and 1C on days 11 and 12

Discussion
Equilibration time can be considered as ca. 8 days, as the values measured on the following consecutive days did not give significantly different values.
The measurements of DOC concentration in the test item solutions with the nominal concentration 1000 mg/L showed different results in the pre-test in comparison to the main study, as the pre-test was done without light protection.

Conclusion
Linear dependency of solubility on test item amount (nominal load) was perceived in the main study. The measured value from flask 2 lay below the LOQ for TOC (1.59 mg/L) and was not used in the evaluation. No exact value for solubility in water can be stated. The solubility range for the tested nominal concentration 312 – 1003 mg/L is 3.99 – 11.90 mg/L at 20.0 ± 0.5 °C, corresponding to 1.2% (mean value) dissolved part of the test item relating to the nominal concentration of the test item.