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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Toxicological information

Acute Toxicity: dermal

Currently viewing:

Administrative data

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.
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 402 ) on the analogue CAS nº 108-80-5 cyanuric acid.
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
Crude cyanuric acid
IUPAC Name:
Crude cyanuric acid
Constituent 2
Chemical structure
Reference substance name:
Cyanuric acid
EC Number:
203-618-0
EC Name:
Cyanuric acid
Cas Number:
108-80-5
Molecular formula:
C3H3N3O3
IUPAC Name:
1,3,5-triazinane-2,4,6-trione
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

Effect levels
Sex:
male/female
Dose descriptor:
LD50
Effect level:
> 5 891 mg/kg bw

Any other information on results incl. tables

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

 

 

 

Applicant's summary and conclusion

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.