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

Genetic toxicity: in vivo

Administrative data

Endpoint:

genetic toxicity in vivo

Type of information:

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

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The analogue CAS nº 2624-17-1 monosodium salt of 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.

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 475) on the analogue CAS nº 2624-17-1 monosodium
salt of cyanuric acid.

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Sodium cyanurate

IUPAC Name:

Sodium cyanurate

Constituent 2

Reference substance name:

2624-17-1

Cas Number:

2624-17-1

IUPAC Name:

2624-17-1

Details on test material:

- Name of test material (as cited in study report): monosodium salt of cyanuric acid
- Molecular formula (if other than submission substance): C3H3N3O3 Na
- Molecular weight (if other than submission substance): 152.08
- Smiles notation (if other than submission substance): [nH-]1c([nH]c(=O)[nH]c1=O)=O.[Na+]
- InChl (if other than submission substance): 1/C3H3N3O3.Na/c7-1-4-2(8)6-3(9)5-1;/h(H3,4,5,6,7,8,9);/q;+1/p-1
- Structural formula attached as image file (if other than submission substance): see Fig

Results and discussion

Test results

Sex:

male

Genotoxicity:

negative

Any other information on results incl. tables

Based on the experimental results obtained with the analogue monosodium salt of cyanuric acid (male, genotoxicity negative) and the molecular weights, the read-across approach is applied and the same results can be extrapolated to substance trisodium cyanurate, under test conditions.

The analogue sodium cyanurate shares the same functional group with trisodium cyanurate, that also has comparable values for the relevant molecular properties. These properties are: 

- a low log Pow value which is 0.62for sodium cyanurate and -2.06 for trisodium cyanurate,

- a high water solubility which is 2.234E+004 mg/Lfor sodium cyanurate and 1E+006 mg/L for trisodium cyanurate at 25ºC,

- similar molecular weights which are152.08 for sodium cyanurate 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		2624-17-1	3047-33-4
CHEMICAL NAME		Analogue 2 Sodium cyanurate	Trisodium cyanurate
PHYSICO-CHEMICAL DATA
Melting Point		Estimated data: 305ºC	Estimated data: 260.74ºC
Boiling Point		Estimated data: 697.8ºC	Estimated data: 603.07ºC
Density		No data	Experimental results: 2.09g/mL
Vapour Pressure		Estimated data: 1.41E-016 mm Hg at 25ºC	Estimated data: 1.62E-013 mm Hg at 25ºC
Partition Coefficient (log Kow)		Estimated data: 0.62	Estimated data: -2.06
Water solubility		Estimated data: 2.234E+004 mg/L at 25ºC	Estimated data: 1E+006 mg/L at 25 ºC
ENVIRONMENTAL FATE and PATHWAY
Aerobic Biodegradation		No data	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		No data	Read-across from Cyanuric acid: Ready biodegradability
ENVIRONMENTAL TOXICITY
Acute Toxicity to Fish		No data	Read-across from Cyanuric acid: 96 h-LC50 > 1510 mg/L
Acute Toxicity to Aquatic Invertebrates		No data	Read-across from Cyanuric acid: 48 h-LC50 > 1510 mg/L
Toxicity to Aquatic Plants		Experimental data: 72h-EC50 > 100 mg/L  72h-NOEC = 100 mg/L	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		No data	Read-across from Cyanuric acid: LD50 > 7554.42 mg/kg bw
Acute Inhalation		No data	Read-across from Cyanuric acid: LC50 > 7.93 mg/L
Acute Dermal		No data	Read-across from Cyanuric acid: LD50 > 7554.42 mg/kg bw
Repeated Dose		Repeated dose toxicity: oral: Key study: 28 days extended to 59 days in rats: LOAEL > 4000 ppm NOAEL = 4000 ppm Repeated dose toxicity oral: Key study: 104 weeks in mouse: NOAELca. 1523 mg/kg bw/day,male NOAELca. 1582 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	Supporting study:  Salmonella, with and without metabolic activation, genotoxicity negative	Read-across from Sodium cyanurate: Negative   Read-across from Sodium cyanurate monohydrate: Negative
	-         Mammalian gene mutation	Key study: CHO, with and without metabolic activation, genotoxicity negative	Read-across from Sodium cyanurate: Negative
	Chromosomal aberration	Key study: Mouse lymphoma L5178Y cells, with and without metabolic activation, genotoxicity negative	Read-across from Sodium cyanurate: Negative
Genetic Toxicity in vivo		Key study: Rat bone marrow cytogenetics assay, genotoxicity negative	Read-across from Sodium cyanurate: Negative
Carcinogenicity		Key study: Mouse, 104 weeks NOAEL ca. 1520  mg/kg bw/day, male NOAEL ca. 1580 mg/kg bw/day, female	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		Key study: Rats, 100 and 120 days exposure- period of F0, F1 and F2 generations, both sexes.  NOAEL: P male ca.  470 mg/kg bw/day P female  ca. 950 mg/kg bw/day F1 male  ca. 500 mg/kg bw/day F1 female  ca. 910 mg/kg bw/day F2 male  ca. 190 mg/kg bw/day F2 female  ca. 970 mg/kg bw/day	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

Conclusions:

Interpretation of results (migrated information): negative
Trisodium cyanurate was negative.

Executive summary:

Based on the experimental results obtained with the analogue monosodium salt of cyanuric acid (male, genotoxicity negative) and the molecular weights, the read-across approach is applied and the same results can be extrapolated to substance trisodium cyanurate, under test conditions.