2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone

Additional information on environmental fate and behaviour

Administrative data

Endpoint:

additional information on environmental fate and behaviour

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: OECD 318

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone

EC Number:

266-564-7

EC Name:

2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone

Cas Number:

67075-37-0

Molecular formula:

C40H26N2O4

IUPAC Name:

7,18-bis(2-phenylethyl)-7,18-diazaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

Test material form:

solid: nanoform, no surface treatment

Details on test material:

- State of aggregation: solid, powder
- Particle size distribution (TEM): 83.2 nm (D50)
- Mass median aerodynamic diameter (MMAD): not specified
- Geometric standard deviation (GSD): not specified
- Shape of particles: spherical
- Surface area of particles: 32 m²/g
- Crystal structure: crystalline
- Coating: no
- Surface properties: not applicable
- Density: 1427 kg/m³ at 20°C
- Moisture content: refer to IUCLID chapter 1
- Residual solvent: refer to IUCLID chapter 1
- Activation: not applicable
- Stabilisation: not applicable
- Median Aspect Ratio of 2.2:1

Results and discussion

Any other information on results incl. tables

At any of the time points mentioned in the TG-318, the influence of Ca is critical. Regardless of pH, the pigment is unstable in 10 mM Ca, representing high water hardness.
After 6h, the samples showed intermediate dispersion stability at all studied conditions although stability in 10 mM was significantly lower.
After 24 hours the stability in 0 mM Ca and 1 mM Ca remained intermediate. For the samples in 10 mM Ca the stability became low.

	Ca(NO3)2	Stability after 6h	Standard deviation	Stability after 15h	Standard deviation	Stability after 24h	Standard deviation
	[mM]	[%]	[%]	[%]	[%]	[%]	[%]
pH 4	0	60.7	1.9	40.4	2.1	27.8	1.1
pH 4	1	55.5	1.6	33.0	3.4	20.6	2.5
pH 4	10	11.2	0.2	4.6	0.1	2.9	0.0
pH 7	0	71.3	1.5	62.4	1.6	59.1	2.0
pH 7	1	71.1	2.3	60.7	2.9	54.4	3.1
pH 7	10	11.1	1.8	4.2	0.2	3.0	0.4
pH 9	0	75.6	2.8	66.2	4.1	61.8	4.0
pH 9	1	72.6	1.7	61.7	1.8	50.7	6.0
pH 9	10	10.9	0.8	5.3	0.3	4.1	0.2

 

To rationalize the observed dispersion stability, we finally checked the particle size distribution directly in the environmental medium. We applied the NanoDefine method of Analytical Ultracentrifugation. The centrifugation parameters are given in the methods section.
As required by TG318, paragraph 31, the tested nanomaterial was pre-wetted in ultrapure water and left in the form of wet-paste for 24 h. The TG318 requires this step “to insure the proper interaction of nanomaterial surface with ultrapure water.” We visually observed incomplete wetting, and so any ensuing measurement would have been incorrect. In accord with the NanoGenoTox dispersion protocol, a drop of ethanol was added, successfully transferred the powder into a paste, which was then further diluted as specified in the TG318
The observed size distributions confirm the moderate agglomeration at 1 mM Ca, pH7, with NOM. If the particles would have been significantly dissolved, no size distribution would be observable at all by this method, which relies on the detection of the movement of particles during centrifugal separation.
Additionally, the centrifugation methods include a determination of the remaining absorption after centrifugation, fully consistent with the conventional determination of the dissolved fraction after centrifugation as recommended by the TG-318. The remaining absorption was measured at ca. 0.09. This is a fraction of 12% of the initial absorption, but actually is close to the LOD of the built-in UV/Vis detector. Considering the LOD, between 0% and 12% of the sample may have been dissolved.
All evidence combined, the results after centrifugation confirm that at least 88% of the observed dispersion stability has to be attributed to the particles, not to dissolution.

Applicant's summary and conclusion

Executive summary:

At any of the time points mentioned in the TG-318, the influence of Ca is critical. Regardless of pH, the pigment is unstable in 10 mM Ca, representing high water hardness.
After 6h, the samples showed intermediate dispersion stability at all studied conditions although stability in 10 mM was significantly lower.
After 24 hours the stability in 0 mM Ca and 1 mM Ca remained intermediate. For the samples in 10 mM Ca the stability became low.