sodium 1,3,5-triazinane-2,4,6-trione

Endpoint summary

Description of key information

Read-across from acute oral, dermal and inhalation studies with cyanuric acid. Experimental data showed no evidence of acute toxicity to cyanuric acid. 

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Endpoint:

acute toxicity: oral

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 108-80-5 cyanuric acid shares the same functional group with the substance CAS nº 2624-17-1 sodium cyanurate and the results can be extrapolated to sodium cyanurate.

Reason / purpose for cross-reference:

reference to other study

Principles of method if other than guideline:

Read-across approach from a study report (using the methods outlined by the OECD Guideline 420 (Acute Oral Toxicity - Fixed Dose Method)) on the analogue CAS nº 108-80-5 cyanuric acid.

GLP compliance:

no

Sex:

male/female

Dose descriptor:

LD50

Effect level:

> 5 891 mg/kg bw

Based on the experimental results obtained with the analogue cyanuric acid (LD50 > 5000 mg/kg bw), the read-across approach is applied and the LC50 for substance sodium cyanurate is calculated to be higher than 5891 mg/kg bw under test conditions

The analogue cyanuric acid shares the same functional group with the substance CAS nº 2624-17-1 sodium cyanurate and 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 0.62 for sodium cyanurate,

 

- a high water solubility which is 2000 mg/L at 25 ºC for cyanuric acid and 22300 mg/L at 25 ºC for sodium cyanurate and

 

- similar molecular weights which are129.07 for cyanuric acid and 152.08 for sodium 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” (see attachment).

 

Table 1: Data Matrix, Analogue Approach

 

CAS Number		108-80-5	2624-17-1
CHEMICAL NAME		Analogue 1 Cyanuric acid	Sodium cyanurate
PHYSICO-CHEMICAL DATA
Melting Point		Experimental results: 320 - 440°C	Estimated data: 305ºC
Boiling Point		No data	Estimated data: 697.8ºC
Density		Experimental results: 1.75 g/ml	Experimental results: 1.9 g/ml
Vapour Pressure		No data	Estimated data: 1.41E-016 mm Hg at 25ºC
Partition Coefficient (log Kow)		Experimental results: -1.31 at 25°C	Estimated data: 0.62
Water solubility		Experimental results: 2000 mg/L at 25 ºC	Estimated data: 2.234E+004 mg/L at 25ºC
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 biodegradability	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 > 1178 mg/L
Acute Toxicity to Aquatic Invertebrates		Experimental data: 48 h-LC50 > 1000 mg/L	Read-across from Cyanuric acid: 48 h-LC50 > 1178 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)	Experimental data: 72h-EC50 > 100 mg/L 72h-NOEC = 100 mg/L Experimental data: Sodium cyanurate monohydrate   72h-EbC50= 2700 mg/L (biomass) 72h- ErC50 > 5000 mg/L (growth rate) 72h- NOEC = 1250 mg/L (growth rate)
MAMMALIAN TOXICITY
Acute Oral		Key study: LD50 > 5000 mg/kg bw	Read-across from Cyanuric acid: LD50 > 5891 mg/kg bw
Acute Inhalation		Key study: LC50 >5.25mg/L	Read-across from Cyanuric acid: LC50 >6.19mg/L
Acute Dermal		Key study: LD50 > 5000 mg/kg bw	Read-across from Cyanuric acid: LD50 > 5891 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	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: NOAEL ca. 1520 mg/kg bw/day,male NOAEL ca. 1580 mg/kg bw/day, female Key study: Sodium cyanurate monohydrate:   Rat, 104 weeks   NOAEL ca. 154 mg/kg bw/day, male NOAEL ca. 266 mg/kg bw/day, female
Genetic Toxicity in vitro	Gene mutation in bacteria	No data	Key study: Sodium cyanurate monohydrate: Negative
	Mammalian gene mutation	No data	Key study: CHO, with and without metabolic activation, genotoxicity negative
	Chromosomal aberration	No data	Key study: Mouse lymphoma L5178Y cells, with and without metabolic activation, genotoxicity negative
Genetic Toxicity in vivo		No data	Key study: Rat bone marrow cytogenetics assay, genotoxicity negative
Carcinogenicity		No data	Key study: Mouse, 104 weeks NOAEL ca. 1520  mg/kg bw/day, male NOAEL ca. 1580 mg/kg bw/day, female Key study: Sodium cyanurate monohydrate:   Rat, 104 weeks NOAEL ca. 154 mg/kg bw/day, male NOAEL ca. 266 mg/kg bw/day, female
Reproductive Toxicity		No data	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   Key study: Rabbit, developmental toxicity. NOAEL maternal = 50 mg/kg bw/day NOAEL teratogenicity = 500 mg/kg bw/day Key study: Sodium cyanurate monohydrate: Rat, developmental toxicity: NOAEL maternal = 5000 mg/kg bw/day NOAEL teratogenicity = 5000 mg/kg bw/day

 

 

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

Cyanuric acid is not classified
The LD50 for substance sodium cyanurate is calculated to be higher than 5891 mg/kg bw.

Executive summary:

Based on the experimental results obtained with the analogue cyanuric acid (LD50 > 5000 mg/kg bw) the read-across approach is applied and the LC50 for substance sodium cyanurate is calculated to be higher than 5891 mg/kg bw under test conditions.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

5 891 mg/kg bw

Quality of whole database:

Read-across approach. Study not performed to GLP and no guideline stated but meets the basic requirements of a guideline study (Klimisch 2).

Acute toxicity: via inhalation route

Link to relevant study records

Reference

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 2624-17-1 sodium cyanurate and the results can be extrapolated to sodium cyanurate

Reason / purpose for cross-reference:

reference to other study

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

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 sodium cyanurate is calculated to be higher than 6.19 mg/L under test conditions.

The analogue cyanuric acid shares the same functional group with the substance CAS nº 2624-17-1 sodium cyanurate and 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 0.62 for sodium cyanurate,

 

- a high water solubility which is 2000 mg/L at 25 ºC for cyanuric acid and 22300 mg/L at 25 ºC for sodium cyanurate and

 

- similar molecular weights which are129.07 for cyanuric acid and 152.08 for sodium 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” (see attachment).

 

Table 1: Data Matrix, Analogue Approach

 

CAS Number		108-80-5	2624-17-1
CHEMICAL NAME		Analogue 1 Cyanuric acid	Sodium cyanurate
PHYSICO-CHEMICAL DATA
Melting Point		Experimental results: 320 - 440°C	Estimated data: 305ºC
Boiling Point		No data	Estimated data: 697.8ºC
Density		Experimental results: 1.75 g/ml	Experimental results: 1.9 g/ml
Vapour Pressure		No data	Estimated data: 1.41E-016 mm Hg at 25ºC
Partition Coefficient (log Kow)		Experimental results: -1.31 at 25°C	Estimated data: 0.62
Water solubility		Experimental results: 2000 mg/L at 25 ºC	Estimated data: 2.234E+004 mg/L at 25ºC
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 biodegradability	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 > 1178 mg/L
Acute Toxicity to Aquatic Invertebrates		Experimental data: 48 h-LC50 > 1000 mg/L	Read-across from Cyanuric acid: 48 h-LC50 > 1178 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)	Experimental data: 72h-EC50 > 100 mg/L 72h-NOEC = 100 mg/L Experimental data: Sodium cyanurate monohydrate   72h-EbC50= 2700 mg/L (biomass) 72h- ErC50 > 5000 mg/L (growth rate) 72h- NOEC = 1250 mg/L (growth rate)
MAMMALIAN TOXICITY
Acute Oral		Key study: LD50 > 5000 mg/kg bw	Read-across from Cyanuric acid: LD50 > 5891 mg/kg bw
Acute Inhalation		Key study: LC50 >5.25mg/L	Read-across from Cyanuric acid: LC50 >6.19mg/L
Acute Dermal		Key study: LD50 > 5000 mg/kg bw	Read-across from Cyanuric acid: LD50 > 5891 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	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: NOAEL ca. 1520 mg/kg bw/day,male NOAEL ca. 1580 mg/kg bw/day, female Key study: Sodium cyanurate monohydrate:   Rat, 104 weeks   NOAEL ca. 154 mg/kg bw/day, male NOAEL ca. 266 mg/kg bw/day, female
Genetic Toxicity in vitro	Gene mutation in bacteria	No data	Key study: Sodium cyanurate monohydrate: Negative
	Mammalian gene mutation	No data	Key study: CHO, with and without metabolic activation, genotoxicity negative
	Chromosomal aberration	No data	Key study: Mouse lymphoma L5178Y cells, with and without metabolic activation, genotoxicity negative
Genetic Toxicity in vivo		No data	Key study: Rat bone marrow cytogenetics assay, genotoxicity negative
Carcinogenicity		No data	Key study: Mouse, 104 weeks NOAEL ca. 1520  mg/kg bw/day, male NOAEL ca. 1580 mg/kg bw/day, female Key study: Sodium cyanurate monohydrate:   Rat, 104 weeks NOAEL ca. 154 mg/kg bw/day, male NOAEL ca. 266 mg/kg bw/day, female
Reproductive Toxicity		No data	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   Key study: Rabbit, developmental toxicity. NOAEL maternal = 50 mg/kg bw/day NOAEL teratogenicity = 500 mg/kg bw/day Key study: Sodium cyanurate monohydrate: Rat, developmental toxicity: NOAEL maternal = 5000 mg/kg bw/day NOAEL teratogenicity = 5000 mg/kg bw/day

 

 

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The LC50 for substance sodium cyanurate is calculated to be higher than 6.19 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 sodium cyanurate is calculated to be higher than 6.19 mg/L under test conditions.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LC50

Value:

6 190 mg/m³

Quality of whole database:

Read-across approach. GLP guideline study (Klimisch 1).

Acute toxicity: via dermal route

Link to relevant study records

Reference

Endpoint:

acute toxicity: dermal

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 108-80-5 cyanuric acid shares the same functional group with the substance CAS nº 2624-17-1 sodium cyanurate and the results can be extrapolated to sodium cyanurate.

Reason / purpose for cross-reference:

reference to other study

Principles of method if other than guideline:

Read-across approach from a study report (using the methods outlined by OECD Guideline 402 ) on the analogue CAS nº 108-80-5 cyanuric acid.

GLP compliance:

no

Sex:

male/female

Dose descriptor:

LD50

Effect level:

> 5 891 mg/kg bw

Based on the experimental results obtained with the analogue cyanuric acid (LD50 > 5000 mg/kg bw), the read-across approach is applied and the LC50 for substance sodium cyanurate is calculated to be higher than 5891 mg/kg bw under test conditions

The analogue cyanuric acid shares the same functional group with the substance CAS nº 2624-17-1 sodium cyanurate and 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 0.62 for sodium cyanurate,

 

- a high water solubility which is 2000 mg/L at 25 ºC for cyanuric acid and 22300 mg/L at 25 ºC for sodium cyanurate and

 

- similar molecular weights which are129.07 for cyanuric acid and 152.08 for sodium 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” (see attachment).

 

Table 1: Data Matrix, Analogue Approach

 

CAS Number		108-80-5	2624-17-1
CHEMICAL NAME		Analogue 1 Cyanuric acid	Sodium cyanurate
PHYSICO-CHEMICAL DATA
Melting Point		Experimental results: 320 - 440°C	Estimated data: 305ºC
Boiling Point		No data	Estimated data: 697.8ºC
Density		Experimental results: 1.75 g/ml	Experimental results: 1.9 g/ml
Vapour Pressure		No data	Estimated data: 1.41E-016 mm Hg at 25ºC
Partition Coefficient (log Kow)		Experimental results: -1.31 at 25°C	Estimated data: 0.62
Water solubility		Experimental results: 2000 mg/L at 25 ºC	Estimated data: 2.234E+004 mg/L at 25ºC
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 biodegradability	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 > 1178 mg/L
Acute Toxicity to Aquatic Invertebrates		Experimental data: 48 h-LC50 > 1000 mg/L	Read-across from Cyanuric acid: 48 h-LC50 > 1178 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)	Experimental data: 72h-EC50 > 100 mg/L 72h-NOEC = 100 mg/L Experimental data: Sodium cyanurate monohydrate   72h-EbC50= 2700 mg/L (biomass) 72h- ErC50 > 5000 mg/L (growth rate) 72h- NOEC = 1250 mg/L (growth rate)
MAMMALIAN TOXICITY
Acute Oral		Key study: LD50 > 5000 mg/kg bw	Read-across from Cyanuric acid: LD50 > 5891 mg/kg bw
Acute Inhalation		Key study: LC50 >5.25mg/L	Read-across from Cyanuric acid: LC50 >6.19mg/L
Acute Dermal		Key study: LD50 > 5000 mg/kg bw	Read-across from Cyanuric acid: LD50 > 5891 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	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: NOAEL ca. 1520 mg/kg bw/day,male NOAEL ca. 1580 mg/kg bw/day, female Key study: Sodium cyanurate monohydrate:   Rat, 104 weeks   NOAEL ca. 154 mg/kg bw/day, male NOAEL ca. 266 mg/kg bw/day, female
Genetic Toxicity in vitro	Gene mutation in bacteria	No data	Key study: Sodium cyanurate monohydrate: Negative
	Mammalian gene mutation	No data	Key study: CHO, with and without metabolic activation, genotoxicity negative
	Chromosomal aberration	No data	Key study: Mouse lymphoma L5178Y cells, with and without metabolic activation, genotoxicity negative
Genetic Toxicity in vivo		No data	Key study: Rat bone marrow cytogenetics assay, genotoxicity negative
Carcinogenicity		No data	Key study: Mouse, 104 weeks NOAEL ca. 1520  mg/kg bw/day, male NOAEL ca. 1580 mg/kg bw/day, female Key study: Sodium cyanurate monohydrate:   Rat, 104 weeks NOAEL ca. 154 mg/kg bw/day, male NOAEL ca. 266 mg/kg bw/day, female
Reproductive Toxicity		No data	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   Key study: Rabbit, developmental toxicity. NOAEL maternal = 50 mg/kg bw/day NOAEL teratogenicity = 500 mg/kg bw/day Key study: Sodium cyanurate monohydrate: Rat, developmental toxicity: NOAEL maternal = 5000 mg/kg bw/day NOAEL teratogenicity = 5000 mg/kg bw/day

 

 

Interpretation of results:

not classified

Remarks:

Migrated information

Conclusions:

The LD50 for substance sodium cyanurate is calculated to be greater than 5891 mg/kg bw for rabbit.

Executive summary:

Based on the experimental results obtained with the analogue cyanuric acid (LD50 > 5000 mg/kg bw) the read-across approach is applied and the LC50 for substance sodium cyanurate is calculated to be higher than 5891 mg/kg bw under test conditions.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

5 891 mg/kg bw

Quality of whole database:

Read-across approach. Study not performed to GLP and no guideline stated but meets the basic requirements of a guideline study (Klimisch 2).

Additional information

Read-across:

1. Based on the experimental results obtained with the analogue cyanuric acid (LD50 > 5000 mg/kg bw) the read-across approach is applied and the LC50 for substance sodium cyanurate is calculated to be higher than 5891 mg/kg bw (oral acute toxicity).

2. 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 sodium cyanurate is calculated to be higher than 6.19 mg/L (inhalation acute toxicity).

3. Based on the experimental results obtained with the analogue cyanuric acid (LD50 > 5000 mg/kg bw) the read-across approach is applied and the LC50 for substance sodium cyanurate is calculated to be higher than 5891 mg/kg bw (dermal acute toxicity).

Justification for selection of acute toxicity – oral endpoint
Only one study available.

Justification for selection of acute toxicity – inhalation endpoint
Only one study available.

Justification for selection of acute toxicity – dermal endpoint
Only one study available.

Justification for classification or non-classification

The LD50 values exceeded the limit of classification in the oral, dermal and inhalation studies and therefore sodium cyanurate need not be classified.