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EC number: 202-718-1 | CAS number: 98-97-5
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: refer below principle
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.4 with logKow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: Pyrazine-2-carboxylic acid
- Molecular formula: C5H4N2O2
- Molecular weight: 124.099 g/mol
- Substance type: organic
- Physical state: solid
- Smiles: c1ncc(C(=O)O)nc1
- InChI: 1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9) - Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Test temperature:
- 23 deg.C
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 303.54 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The short term toxicity on Daphnia magna (aquatic invertebrates) was predicted for Pyrazine-2-carboxylic acid using OECD QSAR toolbox version 3.4 and EC50 value was estimated to be 303.54 mg/l on Daphnia magna for 48 hrs duration considering Intoxication effects.
- Executive summary:
Using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrate was predicted for Pyrazine-2-carboxylic acid (Cas no. 98-97-5). Effect concentration i.e EC50 value was estimated to be 303.54 mg/l for Daphnia magna for 48 hrs duration. Based on the effect value, Pyrazine-2-carboxylic acid (Cas no. 98-97-5) was non toxic to aquatic invertebrates, hence it can be considered to be not classified as per the CLP classification criteria for aquatic environment.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and "k" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aryl OR Carboxylic acid OR
Pyrazine by Organic Functional groups ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl OR Carboxylic acid OR
Overlapping groups OR Pyrazine by Organic Functional groups (nested) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid, aromatic attach [-COOH] OR
Alcohol, olefinic attach [-OH] OR Aromatic Carbon [C] OR Aromatic
Nitrogen OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one
aromatic attach [-C(=O)-] OR Miscellaneous sulfide (=S) or oxide (=O) OR
Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aromatic compound OR Carbonic
acid derivative by Organic functional groups, Norbert Haider (checkmol)
ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Not Related to an Existing
ECOSAR Class by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines OR Alkoxy
Silanes OR Anilines (amino-meta) OR Anilines (Unhindered) OR Esters OR
Esters, Monothiophosphates OR Inorganic Compound OR Melamines OR Neutral
Organics OR Salt OR SHOULD NOT BE PROFILED OR Surfactants-Anionic OR
Thiazolones (Iso-) OR Triazines, Aromatic OR Vinyl/Allyl Alcohols OR
Vinyl/Allyl Aldehydes OR Vinyl/Allyl Ketones by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 16 - Oxygen O by Chemical elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Group 15 - Metalloids As,Sb OR
Group 17 - Halogens Cl OR Group 17 - Halogens F,Cl,Br,I,At by Chemical
elements
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Acid, aromatic attach [-COOH]
AND Alcohol, olefinic attach [-OH] AND Aromatic Carbon [C] AND Aromatic
Nitrogen AND Carbonyl, olefinic attach [-C(=O)-] AND Carbonyl, one
aromatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O)
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
ONLY
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.462
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.87
Description of key information
Using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrate was predicted for Pyrazine-2-carboxylic acid (Cas no. 98-97-5). Effect concentration i.e EC50 value was estimated to be 303.54 mg/l for Daphnia magna for 48 hrs duration. Based on the effect value, Pyrazine-2-carboxylic acid (Cas no. 98-97-5) was non toxic to aquatic invertebrates, hence it can be considered to be not classified as per the CLP classification criteria for aquatic environment.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 303.54 mg/L
Additional information
Short term toxicity to aquatic invertebrates for Pyrazine-2-carboxylic acid (Cas no. 98-97-5) was summaries with couple of estimated data for target and two experimental studies with two read across substances are summaries as follows:
Using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Pyrazine-2-carboxylic acid (Cas no. 98-97-5).EC50 value was estimated to be 303.54 mg/l for Daphnia magna for 48 hrs duration. Based on the value, the Pyrazine-2-carboxylic acid was likely to be non-toxic to aquatic invertebrates and can be considered as not classified as per the CLP regulations.
Likewise prediction by three different model i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database indicate the short term toxicity on Daphnia Magna was predicted for test substance Pyrazine-2-carboxylic acid (CAS: 98-97-5). The average EC50 value was given by the third model i.e, Battery model. On the basis of effects observed in a static freshwater system, the effect concentration EC50 value for the substance Pyrazine-2-carboxylic acid is estimated to be 304.94 mg/l for Daphnia Magna during 48 hr exposure duration.
Both predictions for target assist by experimental study of read across (2E)-but-2-enedioic acid (Cas no.110-17-8) (J. Water Pollut. Control Fed.52 (8): 2117-2130, 1980) which indicate the objective of the study to determine the ability of wet oxidation to achieve maximum destruction of the material. The acute static toxicity test was performed in Daphnia magna for 48 hrs according to the “Methods for Acute Toxicity Tests with Fish, macro invertebrates and Amphibians.” The test was performed in 154.5 mg/l CaCO3hardness condition, 7.7 pH and at 22 degree C temperature. After the experiment, the EC 50 value in 48 hrs for aquatic invertebrates for (2E)-but-2-enedioic acid (Cas no.110-17-8) was determined to be 212 mg/l.
From same peer reviewed journal for another read across (2Z)-but-2-enedioic acid (Cas no.110-16-7) study was performed same as above. After the experiment, the EC 50 value in 48 hrs for aquatic invertebrates for (2Z)-but-2-enedioic acid (Cas no.110-16-7) was determined to be 316.2 mg/l.
Based on the predictions of target and experimental studies of read across chemical, it was considered that Pyrazine-2-carboxylic acid (Cas no. 98-97-5) was not hazardous to aquatic invertebrates and can be considered to be not classified as per the CLP regulation.
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