Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, sulfonated

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

June 8, 2017 to August 17, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Key result

Water solubility:

92.9 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

1 g/L

Incubation duration:

24 h

Temp.:

20 °C

pH:

6.5

Details on results:

The measured concentration of the test substance was calculated as follows:

Copper in sample (mg a.i./L) = ((Mean corrected intensity – (Y-intercept))/ slope) x Dilution factor
Mean corrected intensity = 2042.6
Y-intercept = -27.35
Slope = 4500.5000
First initial volume (Vil) = 5.00 mL
First final volume (Vfl) = 10.0 mL
Second initial volume (Vi2) = 1.00 mL
Second final volume (Vf2) = 10.0 mL
Dilution factor = (Vfl/Vil) x *(Vf2/Vi2) = (10.0/5.00) x (10.0/1.00) = 20.0
Copper in sample (mg a.i./L) =((2042.6 – (-27.35))/4500.5000) x 20.0
Copper in sample (mg a.i./L) = 9.20
Sample (mg/L) copper in sample/copper in test material
Sample (mg/L) = 9.20/9.11 % = 101

Based on the preliminary trial, the water solubility of the test material after the 24-hour shake flask test at 20 20C was determined to be approximately 130 mg/L. Based on this finding, the target concentration was determined to be 1.0 mg/L for the definitive test.
The pH of the test system and samples was evaluated concurrent with the definitive test. The pH of the test system (reagent) water at 20 °C was 6.50. The measured pH of the supernatant of reagent water saturated with the test substance at 20 °C was 6.5 for both the 24 and 48-hour samples.
Mean measured water-soluble test substance concentrations for saturations samples shaken and equilibrated at 30 °C for 24 and 48 hours prior to equilibration at 20 °C were 0.033 % (within the 15 % required for the protocol). The mean water solubility of the test material was determined to be 92.9 ± 4.2 mg/L (CV = 4.5 %) at 20 °C.

Table 1: Definitive water solubility of the test material at 20 °C

Sample	Time at 30 °C (hrs)	Concentration of test material			%Difference
		Nominal (mg/mL)	Measured (mg/L)	Mean measured ± SD (mg/L)
1-1	24	1	101	94.4 ± 5.9 (CV = 6.3 %)	0.033 %
1-2	24	1	92.8
1-3	24	1	89.5
2-1	48	1	91.1	91.4 ± 1.5 (CV = 1.7)
2-2	48	1	90.0
2-3	48	1	93.0
		Overall mean	92.9
		SD	4.2
		CV	4.5
		N	6
SD = Standard deviation CV = Coefficient of variation N = Number of measurements %Difference = Percent difference of mean measured concentration from the two flow rate settings : = (absolute value of the difference of means/average of means) x 100

Conclusions:

The water solubility of the test substance in reagent water at 20 °C was determined using the shake flask method. The overall mean water solubility for the test substance at 20.0 ± 0.1 °C was determined to be 92.9 ± 4.2 mg/L (N = 6; CV = 4.5%).

Executive summary:

The water solubility of the test substance in reagent water at 20 °C was determined using the shake flask method. The test was performed based on procedures in the U.S. EPA Product Properties Test Guidelines, OPPTS 830.7840, Water Solubility:  Column Elution Method; Shake Flask Method (1) and OECD Guideline for the Testing of Chemicals, 105: Water Solubility. The definitive shake flask test consisted of equilibrating an excess amount of test substance with water at an elevated temperature, 30 °C, followed by an equilibration at 20 °C.  A preliminary test was done prior to the definitive portion to estimate the solubility by a physical dissolution test. The overall mean water solubility for the test substance at 20.0 ± 0.1 °C was determined to be 92.9 ± 4.2 mg/L (N = 6; CV = 4.5 %).

Description of key information

The water solubility of the test substance in reagent water at 20ºC was determined using the shake flask method. The overall mean water solubility for the test substance at 20.0 ± 0.1°C was determined to be 92.9 ± 4.2 mg/L (N = 6; CV = 4.5 %).

Key value for chemical safety assessment

Water solubility:

92.9 mg/L

at the temperature of:

20 °C