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

Acute Toxicity: inhalation

Administrative data

Endpoint:

acute toxicity: inhalation

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The analogue CAS nº 108-80-5 cyanuric acid shares the same functional group with the substance CAS nº 3047-33-4 trisodium cyanurate and the results can be extrapolated to trisodium cyanurate

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Data source

Reference

Reference Type:

other: read-across

Title:

Unnamed

Year:

2010

Materials and methods

Principles of method if other than guideline:

Read-across approach from a study report (using the methods outlined by OECD guideline 403 and EPA OPPTS 870.1300) on the analogue CAS nº 108-80-5 cyanuric acid.

GLP compliance:

yes

Test material

Test material information

Constituent 1

Reference substance name:

Cyanuric acid

EC Number:

203-618-0

EC Name:

Cyanuric acid

Cas Number:

108-80-5

IUPAC Name:

1,3,5-triazine-2,4,6-triol

Details on test material:

- Name of test material (as cited in study report): Cyanuric acid
- Molecular formula (if other than submission substance): C3H3N3O3
- Molecular weight (if other than submission substance): 129.07
- Smiles notation (if other than submission substance): O=C1NC(=O)NC(=O)N1
- InChl (if other than submission substance): 1/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
- Structural formula attached as image file (if other than submission substance): see Fig.

Results and discussion

Any other information on results incl. tables

Based on the experimental results obtained with the analogue cyanuric acid (LC50 > 5.25 mg/L), the read-across approach is applied and the LC50 for substance trisodium cyanurate is calculated to be higher than 7.93 mg/L under test conditions.

The analogue cyanuric acid shares the same functional group with the substance CAS nº 3047-33-4 trisodium cyanurate, which also has comparable values for the relevant molecular properties. These properties are: 

- a low log Pow value which is -1.31 for cyanuric acid and-2.06for trisodium cyanurate, 

- a high water solubility which is 2000 mg/L at 25 ºC for cyanuric acid and1E+006 mg/L at 25 ºCfor trisodium cyanurate

- similar molecular weights which are 129.07 for cyanuric acid and 195.01 for trisodium cyanurate.

As indicated in the European Chemical Agency Practical Guide 6 “How to report read –across and categories”, the structural grouping was realized using “OECD QSAR APPLICATION TOOL BOX” version 1.1.0. (see attachment).

 

Table 1: Data Matrix, Analogue Approach.

CAS Number		108-80-5	3047-33-4
CHEMICAL NAME		Analogue 1 Cyanuric acid	Trisodium cyanurate
PHYSICO-CHEMICAL DATA
Melting Point		Experimental results: 320 - 440°C	Estimated data: 260.74ºC
Boiling Point		No data	Estimated data: 603.07ºC
Density		Experimental results: 1.75g/ml	Experimental results: 2.09g/mL
Vapour Pressure		No data	Estimated data: 1.62E-013 mm Hg at 25ºC
Partition Coefficient (log Kow)		Experimental results: -1.31 at 25°C	Estimated data: -2.06
Water solubility		Experimental results: 2000 mg/L at	Estimated data: 1E+006 mg/L at 25 ºC
ENVIRONMENTAL FATE and PATHWAY
Aerobic Biodegradation		Experimental results: Normally it degrades very slowly under aerobic conditions.  Nevertheless, it can be readily degraded aerobically under nitrogen-limited conditions, but only by a limited number of microorganisms in certain conditions.	Read-across from Cyanuric acid: Normally it degrades very slowly under aerobic conditions.  Nevertheless, it can be readily degraded aerobically under nitrogen-limited conditions, but only by a limited number of microorganisms in certain conditions.
Anaerobic Biodegradation		Experimental results: Ready biodegreadability	Read-across from Cyanuric acid: Ready biodegradability
ENVIRONMENTAL TOXICITY
Acute Toxicity to Fish		Experimental data: 96 h-LC50 > 1000 mg/L	Read-across from Cyanuric acid: 96 h-LC50 > 1510 mg/L
Acute Toxicity to Aquatic Invertebrates		Experimental data: 48 h-LC50 > 1000 mg/L	Read-across from Cyanuric acid: 48 h-LC50 > 1510 mg/L
Toxicity to Aquatic Plants		Experimental data: 96 h-EC50=712 mg/L (basis for effect: in vivo chlorophyll) 96 h-EC50=655 mg/L (basis for effect: cell number)	Read-across from Cyanuric acid: 96 h-EC50=1075 mg/L (basis for effect: in vivo chlorophyll) 96 h-EC50=989.6 mg/L (basis for effect: cell number) Read-across from Sodium cyanurate: 72h-EC50 > 128.2 mg/L  72h-NOEC = 128.2 mg/L Read-across from Sodium cyanurate monohydrate: 72h-EbC50= 3095.7 mg/L, basis for effect: biomass 96h-EbC50 > 5708.4 mg/L, basis for effect: biomass 72h- ErC50 > 5708.4 mg/L, basis for effect: growth rate 96h- ErC50 > 5708.4 mg/L, basis for effect: growth rate 72h- NOEC = 1433.1 mg/L, basis for effect: growth rate 96h- NOEC = 5708.4 mg/L, basis for effect: growth rate
MAMMALIAN TOXICITY
Acute Oral		Key study: LD50 > 5000 mg/kg bw	Read-across from Cyanuric acid: LD50 > 7554.42 mg/kg bw
Acute Inhalation		Key study: LC50 > 5.25 mg/L	Read-across from Cyanuric acid: LC50 > 7.93 mg/L
Acute Dermal		Key study: LD50 > 5000 mg/kg bw	Read-across from Cyanuric acid: LD50 > 7554.42 mg/kg bw
Repeated Dose		Repeated dose toxicity: oral: Key study: 13 weeks in rats: NOAEL ca.231 mg/kg bw/day male NOAEL ca. 914 mg/kg bw/day female	Read-across from Cyanuric acid:   NOAEL ca 349 mg/kg bw/day male NOAEL ca. 1380.9 mg/kg bw/day female Read-across from Sodium cyanurate:     LOAEL > 5128.8 ppm NOAEL = 5128.8 ppm Read-across from Sodium cyanurate:     NOAELca. 1952.8 mg/kg bw/day,male NOAELca. 2028.4 mg/kg bw/day, female Read-across from Sodium cyanurate monohydrate:   NOAEL = 6162.5 ppm  LOAEL < 6162.5 ppm Read-across from Sodium cyanurate monohydrate: NOAELca. 176.5 mg/kg bw/day, male NOAEL ca. 304.9 mg/kg bw/day, female LOAEL ca. 425.3 mg/kg bw/day, male LOAEL ca. 726.8 mg/kg bw/day, female
Genetic Toxicity in vitro	-         Gene mutation in bacteria	No data	Read-across from Sodium cyanurate: Negative   Read-across from Sodium cyanurate monohydrate: Negative
	-         Mammalian gene mutation	No data	Read-across from Sodium cyanurate: Negative
	Chromosomal aberration	No data	Read-across from Sodium cyanurate: Negative
Genetic Toxicity in vivo		No data	Read-across from Sodium cyanurate: Negative
Carcinogenicity		No data	Read-across from Sodium cyanurate:   NOAEL ca. 1520  mg/kg bw/day, male NOAEL ca. 1580 mg/kg bw/day, female   Read-across from Sodium cyanurate monohydrate:    NOAEL ca. 176.5 mg/kg bw/day, male NOAEL ca. 304.9 mg/kg bw/day, female
Reproductive Toxicity		No data	Read-across from Sodium cyanurate:   NOAEL:   P male ca.  602.6 mg/kg bw/day P female  ca. 1218 mg/kg bw/day F1 male  ca. 641.1 mg/kg bw/day F1 female  ca. 1166.8 mg/kg bw/day F2 male  ca. 243.6 mg/kg bw/day F2 female  ca. 1243.7 mg/kg bw/day

Applicant's summary and conclusion

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The LC50 for substance trisodium cyanurate is calculated to be higher than 7.93 mg/L.

Executive summary:

Based on the experimental results obtained with the analogue cyanuric acid (LC50 > 5.25 mg/L) the read-across approach is applied and the LC50 for substance trisodium cyanurate is calculated to be higher than 7.93 mg/L under test conditions.