1,3,5-triazine-2,4,6(1H,3H,5H)-trione, zinc salt

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

transformation / dissolution of metals and inorganic metal compounds

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Series on Testing and Assessment No. 29 (23-Jul-2001): Guidance document on transformation/dissolution of metals and metal compounds in aqueous media

Deviations:

yes

Remarks:

Determination at pH 6 and 8 instead of 5.5 and 8.5

GLP compliance:

no

Type of method:

other: transformation/dissolution

Type of test:

full transformation/dissolution test - metals and sparingly soluble metal compounds

Mean dissolved conc.:

172.5 µg/L

Element analysed:

Zn

Loading of aqueous phase:

1 other: mg test item / L

Incubation duration:

24 h

Test conditions:

pH 6

Remarks on result:

other: SD: 7.45 µg/L

Type of test:

full transformation/dissolution test - metals and sparingly soluble metal compounds

Mean dissolved conc.:

157.53 µg/L

Element analysed:

Zn

Loading of aqueous phase:

1 other: mg test item / L

Incubation duration:

7 d

Test conditions:

pH 6

Remarks on result:

other: SD: 5.45 µg/L

Type of test:

full transformation/dissolution test - metals and sparingly soluble metal compounds

Mean dissolved conc.:

139.24 µg/L

Element analysed:

Zn

Loading of aqueous phase:

1 other: mg test item / L

Incubation duration:

28 d

Test conditions:

pH 6

Remarks on result:

other: SD: 5.65 µg/L

Details on results:

Temperature
The temperature of the thermostatically controlled room was recorded with a Testo 175-T2 data logger. The mean temperature was 21.0 ± 0.1 °C during the 24 h screening test with 100 mg/L loading at pH 6 and 8. In the full test the mean temperatures were 20.5 ± 0.4 °C for 10 and 100 mg/L loading (168 h test duration) and 21.0 ± 0.4 °C for 1 mg/L loading (672 h test duration). Therefore, the mean temperature is in agreement with the OECD guidance document 29.

Solution pH and oxygen concentrations
The pH values in screening test (loading 100 mg/L) at pH 8 and 6 remained relatively stable in method blanks and test item loaded vessels in the range of 7.7 – 7.9 and 6.0 – 6.2, respectively. The pH in method blanks in full test remained relatively stable in the range of 5.8 – 6.2. The pH in 1 mg test item/L loaded vessels increased during 672 h of testing from 6.1 to 6.5. The pH in 10 mg test item/L loaded vessels increased during 168 h of testing from 6.0 to 6.5. The pH in 100 mg test item/L loaded vessels increased from 6.0 up to 6.8 – 6.9.
Oxygen levels of all test solutions (all loadings) were in the range recommended by the OECD Test Guidance 29 during the test: above 70 % of oxygen saturation at 8.5 mg/L (70 % of 8.5 mg/L = 6 mg/L = 6 ppm).

Analytical measurements of inorganic Zn
The OECD Series 29 requires a limit of 20 % and 10 % for the between-vessel and the within-vessel variation, respectively.
The observed variations within and between test item loaded vessels are in compliance with the test guideline.
According to OECD Test Guidance 29, “[…]it is reasonable to anticipate that for a constant loading of a substance, tested in a narrow particle size (e.g. 37 - 44 μm) and total surface area range, the within-vessel variation in transformation data should be less than 10% and the between-vessel variation should be less than 20 %”.
According to OECD Test Guidance 29, the equilibrium had been established in the full test with loadings of 1 and 10 mg/L because “ […] three subsequent total dissolved metal concentration data points vary no more than 15%”.

Mass balance
Zinc recoveries for the full test with 1 mg/L ranged from of 91.7 to 106.1 %. Recoveries for 10 mg/L were in the range of 101.4 – 104.5 % and for 100 mg/L within 90.6 – 95.3 %. Recoveries for the loading of 100 mg/L are still within the QA/QC requirements but quite low. This is probably due to residues in the filters used for sampling.

Method validation summary (ICP-OES)

validation parameter	results	Comment
selectivity	selective wavelengths 206.200 nm	no interferences observed
linearity	applied calibration functions were linear	correlation factor at least 0.999794
limit of detection	screening test: 0.4492 µg Zn/L full test: 0.2697 – 0.3047 µg Zn/L mass balance: 0.1392 µg Zn/L
limit of quantification	screening test: 1.3476 µg Zn/L full test: 0.8090 – 0.9141 µg Zn/L mass balance: 0.4177 µg Zn/L
accuracy and precision	mean recovery for certified reference material TM 26.4: screening test: 103.0 ± 1.5 % (n = 4) mass balance: 109.1 ± 0.9 % (n = 3)	certified with 38.0 µg Zn/L
accuracy and precision, repeatability	mean recovery for certified reference material TM 26.4: full test: 101.1 ± 1.4 % (n = 6)	certified with 38.0 µg Zn/L
accuracy and precision	mean recovery for quality control standard – 19 elements: screening: 101.5 ± 0.7 % (n = 4)	diluted to 50 µg Zn/L
accuracy and precision	mean recovery for multi element standard XXI: screening test: 105.1 ± 0.7 % (n = 4) mass balance: 98.7 ± 0.4 % (n = 3)	diluted to 100 µg Zn/L
accuracy and precision, repeatability	mean recovery for multi element standard XXI: full test: 97.6 ± 1.0 % (n = 6)	diluted to 100 µg Zn/L
accuracy and precision	mean recovery for recalibration standard: mass balance: 100.6 ± 0.6 % (n = 3)	diluted to 50 µg Zn/L
accuracy and precision, repeatability	mean recovery recalibration standard: full test: 101.6 ± 1.4 % (n = 6)	diluted to 50 µg Zn/L
Trueness	Recoveries of fortified samples: Screening test: 106.7 % (n = 1) Full test: 98.2 % - 106.9 % (n = 6) Mass balance: 100.9 % and 89.7 % (n = 2)

Sample fortification and calculation of recoveries

sample name	measured conc. [µg Zn/L]	nominal conc. after fortification [µg Zn/L]	recovery [µg Zn/L] / [%]
Screening test: 4 mL of sample + 1 mL of 400 µg Zn/L
Vessel 4 sample a after 24h (dilution factor 100)	71.48	137.18	146.32 / 106.7
Full test: 4 mL of sample + 1 mL of 80 µg Zn/L
Vessel 4 sample a after 2 h (dilution factor 10, loading 1 mg/L)	11.58	25.27	27.00 / 106.9
Vessel 4 sample a after 6 h (dilution factor 10, oading 1 mg/L)	14.59	27.67	29.08 /105.1
Vessel 4 sample a after 24h (dilution factor 10, loading 1 mg/L)	17.95	30.36	31.68 / 104.3
Vessel 4 sample a after 168 h (dilution factor 10, loading 1 mg/L)	16.52	29.21	30.37 / 104.0
Vessel 4 sample a after 336 h (dilution factor 10, loading 1 mg/L)	16.56	29.24	28.71 / 98.2
Vessel 4 sample a after 672 h (dilution factor 10, loading 1 mg/L)	14.17	27.33	28.02 / 102.5
Mass balance: 4 mL of sample + 1 mL of 40 µg Zn/L
Vessel 6 (loading 100 mg/L)	17.34	20.80	20.99 / 100.9
Filter 6 (loading 100 mg/L)	342.13	281.71	252.72 / 89.7

Results of inorganic analysis

Test	Zn concentration	Remarks
Screening test (loading of 100 mg/L, 24 h)	0.69 ± <0.01 mg/Lat pH 8 8.78 ± 0.04 mg/Lat pH 6
Full test (loading of 1 mg/L, 24 h)	172.50 ± 7.45 µg/L at pH 6	According to OECD Series 29, an equilibrium had been reached after 168 h because “[…] three subsequent total dissolved metal concentration data points vary no more than 15 %.” After 24 h to 672 h of testing the equilibrium remained. The observed variations within and between test vessels are in compliance with the test guideline*.
Full test (loading of 1 mg/L, 168 h)	157.53 ± 5.45 µg/L at pH 6
Full test (loading of 1 mg/L, 672 h)	139.24 ± 5.65 µg/L at pH 6
Full test (loading of 10 mg/L, 24 h)	1976.37 ± 9.31 µg/L at pH 6	According to OECD Series 29, an equilibrium had been reached after 168 h because “[…] three subsequent total dissolved metal concentration data points vary no more than 15 %.” The observed variations within and between test vessels are in compliance with the test guideline*.
Full test (loading of 10 mg/L, 168 h)	1620.41 ± 28.77 µg/L at pH 6
Full test (loading of 100 mg/L, 24 h)	10629.85 ± 459.06 µg/L at pH 6	According to OECD Series 29, an equilibrium had been reached because “[…] three subsequent total dissolved metal concentration data points vary no more than 15%.”The observed variations within and between test vessels are in compliance with the test guideline*.
Full test (loading of 100 mg/L, 168 h)	8407.06 ± 275.42 µg/L at pH 6

*The OECD Series 29 requires a limit of 20 % and 10 % for the between-vessel and the within-vessel variation, respectively.

Results of organic analysis

Test	Mean dissolved isocyanuric acid	Remarks
Screening test (loading of 100 mg/L, 24 h)	56.226 ± 2.417 mg/Lat pH 8 67.658 ± 4.595 mg/Lat pH 6
Full test (loading of 1 mg/L, 24 h)	0.393 ± 0.037 mg/L at pH 6
Full test (loading of 1 mg/L, 168h)	0.251 ± 0.060 mg/L at pH 6
Full test (loading of 1 mg/L, 672 h)	0.321 ± 0.063 mg/L at pH 6
Full test (loading of 10 mg/L, 24 h)	6.392 ± 0.332 mg/L at pH 6	A decrease of 9 % of dissolved isocyanuric acid were observed from 24 h to 168 h of testing.
Full test (loading of 10 mg/L, 168 h)	5.818 ± 1.357 mg/L at pH 6
Full test (loading of 100 mg/L, 24 h)	64.797 ± 1.790 mg/L at pH 6	A decrease of 17.8 % of dissolved isocyanuric acid were observed from 24 h to 168 h of testing. The observed variations within and between test vessels are in compliance with the test guideline*.
Full test (loading of 100 mg/L, 168 h)	53.272 ± 0.865 mg/L at pH 6

*The OECD Series 29 requires a limit of 20 % and 10 % for the between-vessel and the within-vessel variation, respectively.

The analytical result of the blank sample was < LOQ.

Mass balance

Zinc recoveries for the full test with 1 mg/L ranged from of 91.7 to 106.1 %. Recoveries for 10 mg/L were in the range of 101.4 – 104.5 % and for 100 mg/L within 90.6 – 95.3 %. Recoveries for the loading of 100 mg/L are still within the QA/QC requirements but quite low. This is probably due to residues in the filters used for sampling.

Calculation of mass balances

vessel	mass of Zn in samples [µg]	mass of Zn in rinsed filters [µg]	mass of Zn in vessels after test end and addition ofaqua regia [µg]	total mass Zn [µg]	added test item to vessels [µg]	amount of Zn in test item [µg]	Zn recovery [%]
1 mg/L
4 pH6	63.20	0.82	143.49	207.51	1014	204.93	101.3
5 pH6	60.77	0.73	153.18	214.67	1001	202.30	106.1
6 pH6	42.93	0.66	142.58	186.17	1005	203.11	91.7
10 mg/L
4 pH6	420.75	3.97	1628.124	2052.85	10013	2023.63	101.4
5 pH6	420.49	3.04	1635.456	2058.98	10023	2025.65	101.6
6 pH6	353.26	16.60	1743.3922	2113.26	10006	2022.21	104.5
100 mg/L
4 pH6	2275.77	482.46	19813.92	22572.15	100008	24911.99	90.6
5 pH6	2399.26	497.68	20844.96	23741.90	100007	24911.74	95.3
6 pH6	2034.83	273.71	20985.51	23294.05	100016	24913.99	93.5

Conclusions:

According to the OECD Series on Testing and Assessment Number 29 (2001), dissolved mean Zn concentrations were determined in a transformation/dissolution test with a loading of 1 mg test item (1,3,5-triazine-2,4,6(1H,3H,5H)-trione, zinc salt) /L media (agitation at 100 rpm, 21.5 ± 1.5 °C) over 672 hours with samplings after 2 h, 6 h, 24 h, 96 h, 168 h, 332 h, 504 h and 672 h.
Following Zn concentrations were determined at pH 6:
- 172.50 ± 7.45 µg/L after 24 h
- 157.53 ± 5.45 µg/L after 168 h
- 139.24 ± 5.65 µg/L after 672 h
The following 1,3,5-triazine-2,4,6(1H,3H,5H)-trione, zinc salt concentrations were calculated on the basis of the molecular formula and a corresponding Zn content of 20.21 %:
- 853.54 ± 36.86 µg/L after 24 h
- 779.47 ± 26.97 µg/L after 168 h
- 688.97 ± 27.96 µg/L after 672 h

Reference 2

Endpoint:

transformation / dissolution of metals and inorganic metal compounds

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Series on Testing and Assessment No. 29 (23-Jul-2001): Guidance document on transformation/dissolution of metals and metal compounds in aqueous media

Deviations:

yes

Remarks:

Determination at pH 8 instead of 5.5 and 8.5

GLP compliance:

no

Type of method:

other: transformation/dissolution

Type of test:

full transformation/dissolution test - metals and sparingly soluble metal compounds

Mean dissolved conc.:

164.07 µg/L

Element analysed:

Zn

Loading of aqueous phase:

1 other: mg test item / L

Incubation duration:

24 h

Test conditions:

pH 8

Remarks on result:

other: SD: 2.04 µg/L

Type of test:

full transformation/dissolution test - metals and sparingly soluble metal compounds

Mean dissolved conc.:

173.74 µg/L

Element analysed:

Zn

Loading of aqueous phase:

1 other: mg test item / L

Incubation duration:

7 d

Test conditions:

pH 8

Remarks on result:

other: SD: 0.47 µg/L

Type of test:

full transformation/dissolution test - metals and sparingly soluble metal compounds

Mean dissolved conc.:

191.08 µg/L

Element analysed:

Zn

Loading of aqueous phase:

1 other: mg test item / L

Incubation duration:

28 d

Test conditions:

pH 8

Remarks on result:

other: SD: 3.03 µg/L

Details on results:

Temperature
The temperature of the thermostatically controlled room was recorded with a Testo 175-T2 data logger. The mean temperature was 21.3 ± 0.2 °C during the 672 h test with 1 mg/L loading at pH 8. Therefore, the mean temperature is in agreement with the OECD guidance document 29.

Solution pH and oxygen concentrations
The pH in test item loaded vessels and method blanks ranged from 7.7 to 8.0.
Oxygen levels of all test solutions (all loadings) were in the range recommended by the OECD Test Guidance 29 during the test: above 70 % of oxygen saturation at 8.5 mg/L (70 % of 8.5 mg/L = 6 mg/L = 6 ppm)

Analytical measurements of inorganic Zn
Method blanks after 168 and 672 h were above respective LOQs but far below concentrations in actual samples (< 2.2 %).
The OECD Series 29 requires a limit of 20 % and 10 % for the between-vessel and the within-vessel variation, respectively. The observed variations within and between test item loaded vessels are in compliance with the test guidance.
According to the OECD 29 the equilibrium had been established in the full test because “ […] three subsequent total dissolved metal concentration data points vary no more than 15%”

Mass balance
Zinc recoveries for the test with 1 mg/L at pH 8 ranged from 91.3 to 98.5 %.

Method validation summary (ICP-OES)

validation parameter	results	Comment
selectivity	selective wavelengths of 213.857 nm	no interferences observed
linearity	applied calibration functions were linear	correlation factor at least 0.998735
limit of detection	1 mg/L test: 0.199 – 0.624 µg Zn/L mass balance: 0.067 µg Zn/L
limit of quantification	1 mg/L test: 0.596 – 1.872 µg Zn/L mass balance: 0.202 µg Zn/L
Mehod blanks	Method blanks from 168 and 672 h slightly above respective LOQs, but far below conc. in actual samples.
accuracy and precision, repeatability	mean recovery for certified reference material TM 26.4: 1 mg/L test: 110.1 ± 3.4 % (n = 9) mass balance: 106.8 ± 0.4 % (n = 3)	certified with 38.0 µg Zn/L
accuracy and precision, repeatability	mean recovery for multi element standard XXI: 1 mg/L test: 103.6 ± 3.2 % (n = 9) mass balance: 98.9 ± 1.3 % (n = 3)	diluted to 100 µg Zn/L
accuracy and precision, repeatability	mean recovery for recalibration samples: 1 mg/L test: 104.2 ± 2.8 % (n = 9) mass balance: 96.7 ± 1.3 % (n = 3)	diluted to 50 µg Zn/L
Trueness	Recoveries of fortified samples: 1 mg/L test: 97.8 – 105.1 % (n = 3)

Sample fortification and calculation of recoveries

sample name	measured conc. [µg Zn/L]	nominal conc. after fortification [µg Zn/L]	recovery [µg Zn/L] / [%]
4 mL of sample + 1 mL of 400 µg Zn/L
Vessel 1 sample a after 24h	166.45	213.16	208.55 / 97.8
Vessel 1 sample a after 168h (dilution factor 2)	87.22	149.78	153.88 / 102.7
1 mL of sample + 4 mL of 80 µg Zn/L
Vessel 1 sample a after 672h (dilution factor 20)	9.53	23.63	24.83 / 105.1

Results of inorganic analysis

Zn concentrations in test with loading of 1 mg/L at pH 8 (1,2,3 – triplicate vessels pH 8; a,b – duplicate samples)

vessel and sample	dilution factor	measured Zn 213.857 [µg/L]	measured*dilution Zn conc. [µg/L]	mean Zn conc. per vessel [µg/L]	SD Zn conc. per vessel [µg/L]	within vessel variation [%]	mean Zn conc. all vessels [µg/L]	SD Zn conc. all vessels [µg/L]	between vessel variation [%]	variation between sampling intervals [%]
1a 24h	1	166.45	166.45
1b 24h	1	166.15	166.15	166.30	0.21	0.1
2a 24h	1	161.88	161.88
2b 24h	1	162.69	162.69	162.28	0.57	0.4
3a 24h	1	163.11	163.11
3b 24h	1	164.14	164.14	163.62	0.73	0.4	164.07	2.04	1.2
1a 168h	2	87.22	174.45
1b 168h	2	86.31	172.61	173.53	1.30	0.7
2a 168h	2	86.85	173.70
2b 168h	2	87.42	174.85	174.28	0.81	0.5
3a 168h	2	86.80	173.61
3b 168h	2	86.62	173.23	173.42	0.27	0.2	173.74	0.47	0.3	5.9
1a 672h	20	9.53	190.68
1b 672h	20	9.33	186.66	188.67	2.84	1.5
2a 672h	20	9.66	193.23
2b 672h	20	9.35	186.94	190.08	4.45	2.3
3a 672h	20	9.71	194.17
3b 672h	20	9.74	194.79	194.48	0.44	0.2	191.08	3.03	1.6	10.0

Mass balance

Zinc recoveries for the test with 1 mg/L at pH8 ranged from 91.3 to 98.5 %.

Calculation of mass balances for the loading of 1 mg/L

vessel	mass of Zn in samples [µg]	mass of Zn in vessels after test end and addition ofaqua regia [µg]	mass of Zn from rinsed filter [µg]	total mass Zn [µg]	added test item to vessels [µg]	Calculated amount of Zn in test item (24.91 %) [µg]	Zn recovery [%]
	1 mg/L
1 pH8	21.14	165.63	0.21	186.98	1013	204.71	91.3
2 pH8	21.07	171.76	0.48	193.31	1022	206.53	93.6
3 pH8	21.26	178.56	0.59	200.42	1007	203.49	98.5

Conclusions:

According to the OECD Series on Testing and Assessment Number 29 (2001), dissolved mean Zn concentrations were determined in a transformation/dissolution test with a loading of 1 mg test item (1,3,5-triazine-2,4,6(1H,3H,5H)-trione, zinc salt) /L media (agitation at 100 rpm, 21.5 ± 1.5 °C) over 672 hours with samplings after 24 h, 168 h and 672 h. Following Zn concentrations were determined at pH 8:
- 164.07 ± 2.04 µg/L after 24 h
- 173.74 ± 0.47 µg/L after 168 h
- 191.08 ± 3.03 µg/L after 672 h
The following 1,3,5-triazine-2,4,6(1H,3H,5H)-trione, zinc salt concentrations were calculated on the basis of the molecular formula and a corresponding Zn content of 20.21 %:
- 811.83 ± 10.09 µg/L after 24 h
- 859.67 ± 2.33 µg/L after 168 h
- 945.47 ± 14.99 µg/L after 672 h

Description of key information

Transformation/dissolution tests with a loading of 1 mg zinc cyanurate/L media (100 rpm, 21.5 ± 1.5 °C)

Based on measured Zn concentrations, the following zinc cyanurate concentrations were calculated on the basis of the molecular formula and a corresponding Zn content of 20.21 %:

At pH 6:

- 853.54 ± 36.86 µg/L after 24 h

- 779.47 ± 26.97 µg/L after 168 h

- 688.97 ± 27.96 µg/L after 672 h

At pH 8:

- 811.83 ± 10.09 µg/L after 24 h

- 859.67 ± 2.33 µg/L after 168 h

- 945.47 ± 14.99 µg/L after 672 h

Additional information

According to the OECD Series on Testing and Assessment Number 29 (2001), dissolved mean Zn concentrations were determined in a transformation/dissolution test with a loading of 1 mg zinc cyanurate /L media (agitation at 100 rpm, 21.5 ± 1.5 °C) over 672 hours. The following Zn concentrations were determined:

At pH 6:

- 172.50 ± 7.45 µg/L after 24 h

- 157.53 ± 5.45 µg/L after 168 h

- 139.24 ± 5.65 µg/L after 672 h

At pH 8:

- 164.07 ± 2.04 µg/L after 24 h

- 173.74 ± 0.47 µg/L after 168 h

- 191.08 ± 3.03 µg/L after 672 h