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EC number: 236-100-8 | CAS number: 13161-30-3
- 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:
- Data is from OECD QSAR toolbox version 3.3 and the QMRAF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction was done using the OECD QSAR toolbox version 3.3.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material : 2-Hydroxypyridine 1-oxide
- Molecular formula : C5H5NO2
- Molecular weight : 111.1 g/mol
- Smiles notation : n1(c(O)cccc1)=O
- InChl : 1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,7H
- Substance type: Organic
- Physical state: Solid - Analytical monitoring:
- not specified
- Details on sampling:
- No data available
- Vehicle:
- not specified
- Details on test solutions:
- No data available
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- - Common name: Water flea
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- No data available
- Post exposure observation period:
- No data available
- Hardness:
- 60 mg/L CaCO3
- Test temperature:
- 22 ± 1 ºC
- pH:
- 7.0– 7.3
- Dissolved oxygen:
- 6.8 mg/L (77 % saturation) to 8.3 mg/L (94 % saturation)
- Salinity:
- No data available
- Conductivity:
- No data available
- Nominal and measured concentrations:
- Nominal
- Details on test conditions:
- No data available
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 180.95 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Remarks on result:
- other: Data is predicted
- Details on results:
- No data available
- Results with reference substance (positive control):
- No data available
- Reported statistics and error estimates:
- No data available
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 value was estimated to be 180.94 mg/l when 2-Hydroxypyridine 1-oxide was exposed to Daphnia magna for 48hrs.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Daphnia magna was predicted for 2-Hydroxypyridine 1-oxide (13161-30-3).The EC50 value was estimated to be 180.94 mg/l when 2-Hydroxypyridine 1-oxide was exposed to Daphnia magna for 48hrs.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and "h" )
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and "n" )
and "o" )
and ("p"
and "q" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Phenols by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl OR Heterocyclic Phenol OR
N-Oxide OR Pyridine by Organic Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Heterocyclic Phenol OR N-Oxide
OR Overlapping groups by Organic Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
OR Aromatic Carbon [C] OR Aromatic Nitrogen OR Hydroxy, aromatic attach
[-OH] OR Miscellaneous sulfide (=S) or oxide (=O) OR Nitrogen oxide,
aromatic nitrogen [n=O] OR Nitrogen oxide, aromatic nitrogen [n=O] non
fused OR Olefinic carbon [=CH- or =C<] OR Oxygen, one aromatic attach
[-O-] OR Pyridine, non fused rings by Organic functional groups (US
EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aromatic compound OR N-oxide OR
Phenol by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Nucleophilic
addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >>
alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2
>> Schiff base formation >> alpha, beta-Unsaturated Aldehydes OR
Non-covalent interaction OR Non-covalent interaction >> DNA
intercalation OR Non-covalent interaction >> DNA intercalation >> DNA
Intercalators with Carboxamide Side Chain OR Radical OR Radical >>
Radical mechanism by ROS formation OR Radical >> Radical mechanism by
ROS formation >> Polynitroarenes OR Radical >> Radical mechanism via ROS
formation (indirect) OR Radical >> Radical mechanism via ROS formation
(indirect) >> Nitroarenes with Other Active Groups OR Radical >> Radical
mechanism via ROS formation (indirect) >> Nitrophenols, Nitrophenyl
Ethers and Nitrobenzoic Acids OR Radical >> Radical mechanism via ROS
formation (indirect) >> Single-Ring Substituted Primary Aromatic Amines
OR SN1 OR SN1 >> Alkylation after metabolically formed carbenium ion
species OR SN1 >> Alkylation after metabolically formed carbenium ion
species >> Polycyclic Aromatic Hydrocarbon Derivatives OR SN1 >>
Nucleophilic attack after diazonium or carbenium ion formation OR SN1 >>
Nucleophilic attack after diazonium or carbenium ion formation >>
Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation OR SN1 >> Nucleophilic attack after
metabolic nitrenium ion formation >> Single-Ring Substituted Primary
Aromatic Amines OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation >> Nitroarenes with Other Active Groups OR
SN1 >> Nucleophilic attack after reduction and nitrenium ion formation
>> Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids OR SN1 >>
Nucleophilic attack after reduction and nitrenium ion formation >>
Polynitroarenes 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 OR SN2 >>
Direct acting epoxides formed after metabolic activation OR SN2 >>
Direct acting epoxides formed after metabolic activation >> Quinoline
Derivatives OR SN2 >> SN2 at an activated carbon atom OR SN2 >> SN2 at
an activated carbon atom >> Quinoline Derivatives OR SN2 >> SN2 attack
on activated carbon Csp3 or Csp2 OR SN2 >> SN2 attack on activated
carbon Csp3 or Csp2 >> Nitroarenes with Other Active Groups by DNA
binding by OASIS v.1.3
Domain
logical expression index: "h"
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: "i"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Halogens OR
Transition Metals by Groups of elements
Domain
logical expression index: "l"
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: "m"
Referential
boundary: The
target chemical should be classified as Group 16 - Sulfur S by Chemical
elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aryl AND Heterocyclic Phenol AND
N-Oxide AND Pyridine by Organic Functional groups ONLY
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Heterocyclic Phenol AND N-Oxide
AND Overlapping groups by Organic Functional groups (nested) ONLY
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.93
Domain
logical expression index: "q"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.613
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Daphnia magna was predicted for 2-Hydroxypyridine 1-oxide (13161-30-3).The EC50 value was estimated to be 180.94 mg/l when 2-Hydroxypyridine 1-oxide was exposed to Daphnia magna for 48hrs.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 180.94 mg/L
Additional information
The toxicity of the chemical 2-Hydroxypyridine 1-oxide (13161-30-3) on the growth of aquatic invertebrates was studied by considering and collecting the data from various databases for target chemical. Some RA (read across) chemicals were also studied. The result are summarised as below:
In the first weight of evidence study for 2-Hydroxypyridine 1-oxide (13161-30-3) based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Daphnia magna was predicted for 2-Hydroxypyridine 1-oxide (13161-30-3).The EC50 value was estimated to be 180.94 mg/l when 2-Hydroxypyridine 1-oxide was exposed to Daphnia magna for 48hrs.
In the second weight of evidence study for target chemical 2-Hydroxypyridine 1-oxide (13161-30-3) ECOSAR, 2017. Based on the prediction done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 22147 mg/l 2- Hydroxy -pyridine 1-oxide in 48 hrs. Based on this value it can be concluded that the substance is considered to be not toxic to aquatic environment and cannot be classified as toxic as per the criteria mentioned in CLP regulation.
Similarly in the third weight of evidence study for RA chemical (108-80-5) J-check, Short-term toxicity study of Isocyanuric acid on the mobility of aquatic invertebrates for 48 hrs. Test was performed in static conditions. Based on the immobilization of daphnia due to Isocyanuric acid, the EC50 was 1000mg/l. Based on the EC50 value, the chemical Isocyanuric acid was not toxic and can be consider to be classified as nontoxic as per the CLP classification criteria.
Similarly in the fourth weight of evidence study for another RA chemical 123-33-1 (1,2-Dihydro-3,6-pyridazinedione) from HSDB and ECOTOX, 2017, Short term toxicity of Maleic hydrazide (1,2-Dihydro-3,6-pyridazinedione) on the growth of daphnia magna was studied for 48 hrs. Test was performed by static system on 1 ins age of fish. Based on the intoxication of daphnia magna by the exposure of Maleic hydrazide (1,2-Dihydro-3,6-pyridazinedione) the EC50 was 107.5 mg/l. Based on the EC50 value Maleic hydrazide (1,2-Dihydro-3,6-pyridazinedione) was not toxic and cannot be consider as classified as toxic to aquatic environment as per the CLP classification criteria.
Based on the data from various sources, it can be concluded that the substance 2-Hydroxypyridine 1-oxide is likely to be not toxic at environmentally relevant concentrations and can be considered as 'not classified' as per the criteria mentioned in CLP regulation.
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