4-(2-phenylpropan-2-yl)phenyl 3-diazo-4-oxo-3,4-dihydronaphthalene-1-sulfonate

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

03 Sep - 25 Sep 2015

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

Water solubility of test item below quantification limit.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2015

Report date:

2015

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:

no

Type of method:

column elution method

Test material

Test material information

Constituent 1

Reference substance name:

4-(2-phenylpropan-2-yl)phenyl 4-oxo-3-(λ⁵-diazynylidene)-3,4-dihydronaphthalene-1-sulfonate

Cas Number:

23121-00-8

Molecular formula:

C25H20N2O4S

IUPAC Name:

4-(2-phenylpropan-2-yl)phenyl 4-oxo-3-(λ⁵-diazynylidene)-3,4-dihydronaphthalene-1-sulfonate

Test material form:

solid

Specific details on test material used for the study:

Storage conditions: Ambient temperature (10 to 30 °C), protected from light

Results and discussion

Water solubility

Water solubility:

< 0.02 mg/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

20 °C

pH:

>= 7 - <= 7.6

Any other information on results incl. tables

Results
Preliminary visual estimation
Three preliminary tests were executed with specified test item amounts and 100 mL and 500 mL distilled water, respectively. After each addition of water, the mixture was stirred for at least 24 h and visually checked for undissolved particles.

Table 1 – Preliminary water solubility test results

Test item amount [mg]	Total volume [mL]	Mixture appearance
15.7	100	Undissolved
11.0	500
3.2	500

 

The test item solubility in water was found to be below 6.2 mg/L (without correction for purity). The column elution method was used for the main test.

Column elution method
106.9 mg of test item were dissolved in 100 mL acetone. For charging the columns in each case 25 mL of test item solution were added to ca. 3 g of sea sand and the mixtures were shaken. The solvent was then removed under reduced pressure using a rotary evaporator (40 °C, ca. 20 mbar). The dry residues were placed into the columns of the test apparatus, which were then filled with water (test temperature: 20 °C, water pH at 22 °C: 5.3). After a swelling time of 2 h, the sand coated test item was rinsed with distilled water by pumps. At the end of the study, it was confirmed that residual test item remained on the columns, 50 mL acetone were used to elute the test item. 

Distilled water was used as a blank value, no signal was detected in the range of the test item retention time. Test item concentration was quantified by HPLC.

Column 12.5 mL/h
Rotation period of the fraction collector: 90 min per fraction
Sampling duration: ~ 68 h (45 fractions)

Table 2 – Column elution method results

Fraction no.	V [mL]	pH	Water solubility [µg/L]
25	19.0	7.5	< 21.1
26		7.4
27	19.1	7.1
28		7.0
29		7.2

 

Column 25.0 mL/h
Rotation period of the fraction collector: 45 min per fraction
Sampling duration: ~ 68 h (90 fractions)

Table 3 – Column elution method results

Fraction no.	V [mL]	pH	Water solubility [µg/L]
53	18.7	7.6	< 21.1
54		7.2
55		7.1
56		7.0
57		7.4

 

Water solubility was found to be below the quantification limit of 21.1 µg/L. In both columns, the concentration of the five consecutive fractions was constant within ±30%. No increasing nor decreasing tendency was seen.

Conclusion: The water solubility of the test item at a temperature of 20 °C was determined to be below the quantification limit: < 0.02 mg/L.