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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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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:
- OECD Guideline 201 (Alga, Growth Inhibition Test)
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.4with 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):
- Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Test temperature:
- 21 Deg.C
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 145.27 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Using OECD QSAR toolbox version 3.4 the median Effective concentration (EC50) value for test chemical Pyrazine-2-carboxylic acid on Pseudokirchneriella subcapitata in a 72 hour study was estimated to be 145.27 mg/L on the basis of effects on growth rate.
- Executive summary:
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 algae and cyanobacteria was predicted for target substance Pyrazine-2-carboxylic acid. EC50 value was estimated to be 145.27 mg/l for Pseudokirchneriella subcapitata for 72 h duration. This effect value indicating that the substance Pyrazine-2-carboxylic acid (CAS no. 98-97-5) does not pose a significant hazard to algae and thus consider to be not classified as per the CLP classification criteria.
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 ("h"
and (
not "i")
)
)
and "j" )
and "k" )
and ("l"
and (
not "m")
)
)
and ("n"
and "o" )
)
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 No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as SN1 OR SN1 >> Alkylation after
metabolically formed carbenium ion species OR SN1 >> Alkylation after
metabolically formed carbenium ion species >> Polycyclic Aromatic
Hydrocarbon Derivatives OR SN2 OR SN2 >> Alkylation, direct acting
epoxides and related after P450-mediated metabolic activation OR SN2 >>
Alkylation, direct acting epoxides and related after P450-mediated
metabolic activation >> Polycyclic Aromatic Hydrocarbon Derivatives by
DNA binding by OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Not known precedent reproductive
and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Inorganic chemical OR Known
precedent reproductive and developmental toxic potential OR Not covered
by current version of the decision tree OR Toluene and small alkyl
toluene derivatives (8a) by DART scheme v.1.0
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "k"
Similarity
boundary:Target:
OC(=O)c1cnccn1
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aliphatic acids and (Met)acrylic
acids by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.853
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.7
Description of key information
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 algae and cyanobacteria was predicted for target substance Pyrazine-2-carboxylic acid. EC50 value was estimated to be 145.27 mg/l for Pseudokirchneriella subcapitata for 72 h duration. This effect value indicating that the substance Pyrazine-2-carboxylic acid (CAS no. 98-97-5) does not pose a significant hazard to algae and thus consider to be not classified as per the CLP classification criteria.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 145.27 mg/L
Additional information
Four studies including predicted data from validated tool and experimental data from secondary data source for toxicity to aquatic algae endpoint of test chemical Pyrazine-2-carboxylic acid (Cas no. 98-97-5) with relevant read across which is close to target using log Kow as primary descriptor were summarised as follows:
Using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the six closest read across substances, which indicate the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance chemical Pyrazine-2-carboxylic acid (Cas no. 98-97-5). The EC50 value was estimated to be 145.27mg/l for Pseudokirchneriella subcapitata for 72 h duration.
Similarly, prediction by three different model i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database indicate the short term toxicity on green algae 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 158.69 mg/l for Pseudokirchneriella subcapitata during 72 hr exposure duration.
For the read across substance, Sodium 2-ethylhexanoate (Cas no. 19766-89-3), toxicity test to green algae study was carried out according to OECD Guideline 201 (Alga, Growth Inhibition Test). The study was based on the growth rate effects of the test compound sodium 2-ethylhexanoate (Cas no.19766-89-3)on green algae. And the effect concentration (EC50) was observed to be 500 mg/l and no observed effect concentration (NOEC) was observed to be 130 mg/l at 72 hrs exposure period. (Japan chemicals collaborative knowledge database (J-check), 2017)
For another read across chemical Succinic acid (Cas no. 110-15-6) from robust summary posted to the HPV Challenge Program Dec. 22, 2006, in a static test method, the effect concentration (EC50) of substance Succinic acid in test species Spirulina labyrinthiformis (blue-green algae) was observed to be 120 mg/l for 72 hrs exposure period.
Thus based on the effects from all studies give the conclusion that test substance Pyrazine-2-carboxylic acid (Cas no. 98-97-5) with effect concentrations in the range 120 to 500 mg/l was likely to be non toxic to aquatic algae at environmentally relevant concentrations and can be considered to be not classified as per the CLP classification criteria.
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