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EC number: 204-254-5 | CAS number: 118-47-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- Endpoint:
- short-term repeated dose toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other:
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Limit test:
- no
- Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Details on oral exposure:
- No data available
- Analytical verification of doses or concentrations:
- not specified
- Details on analytical verification of doses or concentrations:
- No data available
- Duration of treatment / exposure:
- No data available
- Frequency of treatment:
- No data available
- Remarks:
- Doses / Concentrations:
No data available
Basis: - No. of animals per sex per dose:
- No data available
- Details on study design:
- No data available
- Positive control:
- No data available
- Observations and examinations performed and frequency:
- No data available
- Sacrifice and pathology:
- No data available
- Other examinations:
- No data available
- Statistics:
- No data available
- Clinical signs:
- no effects observed
- Mortality:
- no mortality observed
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- no effects observed
- Food efficiency:
- no effects observed
- Water consumption and compound intake (if drinking water study):
- no effects observed
- Ophthalmological findings:
- no effects observed
- Haematological findings:
- no effects observed
- Clinical biochemistry findings:
- not specified
- Urinalysis findings:
- no effects observed
- Behaviour (functional findings):
- no effects observed
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Gross pathological findings:
- no effects observed
- Histopathological findings: non-neoplastic:
- no effects observed
- Histopathological findings: neoplastic:
- no effects observed
- Details on results:
- No data available
- Dose descriptor:
- NOAEL
- Effect level:
- 267.276 mg/kg bw (total dose)
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: estimated
- Critical effects observed:
- not specified
- Conclusions:
- The No Observed Adverse Effect Level (NOAEL) for the test compound Pyrazolone T in rats is found to be 267.275543213 mg/Kg bw/day.
- Executive summary:
Repeated dose oral toxicity was predicted for the test compound Pyrazolone T by SSS QSAR prediction database, 2016. The study was assumed to be performed using rats by the oral (gavage) route. The No Observed Adverse Effect Level (NOAEL) for the test compound Pyrazolone T in rats is found to be 267.275543213 mg/Kg bw/day.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
or "b" or "c" )
and ("d"
and (
not "e")
)
)
and "f" )
and "g" )
and "h" )
and ("i"
and "j" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as AN2 AND AN2 >> Michael addition
to activated double bonds in heterocyclic ring systems AND AN2 >>
Michael addition to activated double bonds in heterocyclic ring systems
>> Pyrazolone and Pyrazolidine Derivatives AND AN2 >> Schiff base
formation with carbonyl compounds (AN2) AND AN2 >> Schiff base formation
with carbonyl compounds (AN2) >> Pyrazolone and Pyrazolidine Derivatives
AND Schiff base formation AND Schiff base formation >> Schiff base on
pyrazolones and pyrazolidinones AND Schiff base formation >> Schiff base
on pyrazolones and pyrazolidinones >> Pyrazolones and Pyrazolidinones by
Protein binding by OASIS v1.4
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Amides AND
Hydrazines by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinoneimines OR AN2 >> Michael-type addition on alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Michael-type addition on
alpha, beta-unsaturated carbonyl compounds >> Four- and Five-Membered
Lactones OR AN2 >> Shiff base formation after aldehyde release OR AN2 >>
Shiff base formation after aldehyde release >> Specific Acetate Esters
OR Non-covalent interaction OR Non-covalent interaction >> DNA
intercalation OR Non-covalent interaction >> DNA intercalation >>
Coumarins OR Non-covalent interaction >> DNA intercalation >> DNA
Intercalators with Carboxamide and Aminoalkylamine Side Chain OR
Non-specific OR Non-specific >> Incorporation into DNA/RNA, due to
structural analogy with nucleoside bases OR Non-specific >>
Incorporation into DNA/RNA, due to structural analogy with nucleoside
bases >> Specific Imine and Thione Derivatives OR Radical OR Radical
>> Radical mechanism via ROS formation (indirect) OR Radical >> Radical
mechanism via ROS formation (indirect) >> Coumarins OR Radical >>
Radical mechanism via ROS formation (indirect) >> Specific Imine and
Thione Derivatives OR Radical >> ROS formation after GSH depletion
(indirect) OR Radical >> ROS formation after GSH depletion (indirect) >>
Quinoneimines OR SN1 OR SN1 >> Nucleophilic attack after carbenium ion
formation OR SN1 >> Nucleophilic attack after carbenium ion formation >>
Pyrrolizidine Derivatives OR SN1 >> Nucleophilic attack after carbenium
ion formation >> Specific Acetate Esters OR SN1 >> Nucleophilic
substitution on diazonium ion OR SN1 >> Nucleophilic substitution on
diazonium ion >> Specific Imine and Thione Derivatives OR SN2 OR SN2 >>
Acylation OR SN2 >> Acylation >> Specific Acetate Esters OR SN2 >>
Alkylation, direct acting epoxides and related OR SN2 >> Alkylation,
direct acting epoxides and related >> Epoxides and Aziridines OR SN2 >>
Alkylation, ring opening SN2 reaction OR SN2 >> Alkylation, ring opening
SN2 reaction >> Four- and Five-Membered Lactones OR SN2 >> Direct acting
epoxides formed after metabolic activation OR SN2 >> Direct acting
epoxides formed after metabolic activation >> Coumarins OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom >> Specific Acetate Esters OR SN2 >> SN2
at sulfur atom OR SN2 >> SN2 at sulfur atom >> Sulfonyl Halides by DNA
binding by OASIS v.1.4
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "g"
Similarity
boundary:Target:
OC(=O)C1CC(=O)N(c2ccc(S(O)(=O)=O)cc2)N=1
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.29
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.8
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 267.276 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- K2 predicted data
Repeated dose toxicity: inhalation - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: inhalation - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Repeated dose oral toxicity:
Prediction model based estimation of the repeated dose toxicity for the target test chemical and data from read across have been summarized to determine the toxic nature of Pyrazole T upon repeated exposure by the oral route.
Repeated dose oral toxicity was predicted for the test compound Pyrazolone T by SSS QSAR prediction database, 2016. The study was assumed to be performed using rats by the oral (gavage) route. The No Observed Adverse Effect Level (NOAEL) for the test compound Pyrazolone T in rats is found to be 267.275543213 mg/Kg bw/day.
13 week subchronic toxicity study was conducted by Himri et al (2011) to evaluate the repeated dose toxic nature of the test compound tartrazine (RA CAS no 1934 -21 -0) on Wistar rats of both sexes. The animals were divided into 5 groups of 6 animals each, 3 of each sex, and fed a diet containing 5, 7.5, or 10 mg/kg b.w of Tartrazine.There were no treatment‐related adverse effects with regard to body weight, food and water consumption. Their blood samples were analyzed for hematological measurements, Glucose, Creatinine, Blood urea nitrogen, Cholesterol total, Triglecerid, alanine amino-transferase, aspartate amino-transferase.Tartrazine induced a morphological change from the discoid shape to an echinocytic form in rat RBCs. Relative weights of the liver were significantly increased in group treated with 10 mg/kg b.w, of Tartrazine. An increase in GLU, CREA, CHOL, TG, AST, and total Protein in serum of rats treated with Tartrazine and Sulfanilic acid compared to control rats was observed and these significant changes were more apparent in high doses than low ones. The histopathological changes of Liver and Kidney were in accordance with the biochemical findings. The Low Observed adverse effect level (LOAEL) for the test compound tartrazine is found to 7.5 mg/Kg bw.
Amother study was conducted by Shinnawy et al (2013) to evaluate the possible influence of an azo dye (tartrazine RA CAS no 1934 -21 -0) on some hematological and biochemical parameters of male albino rat Rattus norvegicus. Sixty adult male rats weighing 100-110g were divided into 3 groups; the first one served as a control, the second received 10mg/kg b.w. of tartrazine and the third group was treated with 25mg/kg b.w. of tartrazine. Rats were treated orally for 30 days followed a recovery for another 30 days.The data obtained reveal a marked decrease in the percentage of body weight gain, red blood cells (R.B.Cs) counts, hemoglobin (Hb) content, mean corpuscular hemoglobin concentration (MCHC), serum total lipids and serum total cholesterol of rats treated with the high dose of tartrazine. On the other hand, a noticeable increase in hematocrit (Hct) value, mean corpuscular volume (MCV), activities of serum aspartate aminotransferase (AST), alanine aminotransferase (ALT), alkaline phosphatase (ALP), glucose level, serum total protein and globulin were found in rats treated with the high dose of tartrazine. In general, there was appreciable improvement after the recovery period. The Low observed adverse effect level (LOAEL) for the test compound tartrazine is found to be 10 mg/Kg bw.
13 week subchronic toxicity study was conducted by Maekawa et al (1987) to evaluate the toxic nature of the test compound tartrazine (RA CAS no 1934 -21 -0). The test compound was administered in drinking water at a dose level of 0(control), 0.3, 0.6, 1.25, 2.5 or 5.0% (w/v) (0, 150, 300, 625, 1250 or 2500 mg/Kg bw). All rats were observed daily and clinical signs and deaths were recorded. Body weights were measured once a week. At the end of the study, all survivors were killed and organs and tissues were taken for gross and microscopical examination. The probable maximum tolerable dose of tartrazine in the drinking-water was found to be between 1.25 and 2.5%. Based on the results observed, the low observed adverse effect level (LOAEL) for the test compound tartrazine is found to be 2.5 % (1250 mg/Kg bw).
90 days repeated dose oral toxicity study was performed (Scientific Committee on Consumer Products, 2006) to evaluate the toxic nature of the test compound 1-Phenyl-3-methyl-5-pyrazolone (PMP; RA CAS no 89 -25-8) in Sprague Dawley rats. The test compound was tested at dose levels of 20, 100 or 500 mg/Kg bw. 10 animals of each sex were used at each dose level. The animals were observed for mortlaity, clinical signs, changes in body weight, hemoatological parameters, clinical chemistry signs and urinary analysis was also performed. No effecrs were noted at the 20 mg/Kg bw dose level. The No observed Adverse Effect level (NOAEL) for the test compound 1-Phenyl-3-methyl-5-pyrazolone (PMP) is found to be 20 mg/Kg bw, a dose level associated in week 13 with systemic exposure (AUC 0-24) values of 4.3 μg.h/ml in males and 15.1 μg.h/ml in females.
Based on the data presented, the test chemical Pyrazolone T in not toxic upon repeated exposure by the oral route.
Justification for selection of repeated dose toxicity via oral route - systemic effects endpoint:
The study is taken using SSS QSAR predicted database
Justification for classification or non-classification
Based on the data presented, the test chemical Pyrazolone T in not toxic upon repeated exposure by the oral route.
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