Registration Dossier
Registration Dossier
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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

Endpoint summary
Administrative data
Description of key information
Skin Irritation:
The dermal irritation potential of 2-Hydroxypyridine 1-oxide was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
2-Hydroxypyridine 1-oxide was estimated to be highly irritating to the skin of New Zealand White rabbits. Based on the estimated results, 2-Hydroxypyridine 1-oxide can be considered to be highly irritating to skin and can be classified under the category “Category 2” as per CLP regulation.
Eye Irritation:
The ocular irritation potential of 2-Hydroxypyridine 1-oxide was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
2-Hydroxypyridine 1-oxide was estimated to be highly irritating causing irreversible damage to the eyes of New Zealand White rabbits.
Based on the estimated results, 2-Hydroxypyridine 1-oxide can be considered to be highly irritating to eyes and can be classified under the category “Category 1” as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- 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 v3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- 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 - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- no data available
- Type of coverage:
- occlusive
- Preparation of test site:
- clipped
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- no data available
- Duration of treatment / exposure:
- 4 hours
- Observation period:
- 24 and 72 hours
- Number of animals:
- 3
- Details on study design:
- no data available
- Other effects / acceptance of results:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- probability of severe irritation
- Irritant / corrosive response data:
- Severe irritation was observed
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Conclusions:
2-Hydroxypyridine 1-oxide was estimated to be highly irritating to the skin of New Zealand White rabbits.- Executive summary:
The dermal irritation potential of 2-Hydroxypyridine 1-oxide was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
2-Hydroxypyridine 1-oxide was estimated to be highly irritating to the skin of New Zealand White rabbits.
Based on the estimated results, 2-Hydroxypyridine 1-oxide can be considered to be highly irritating to skin and can be classified under the category “Category 2” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 9 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 (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and ("y"
and (
not "z")
)
)
and ("aa"
and (
not "ab")
)
)
and "ac" )
and "ad" )
and "ae" )
and "af" )
and "ag" )
and "ah" )
and "ai" )
and "aj" )
and "ak" )
and ("al"
and "am" )
)
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 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinoneimines 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 Michael addition OR
Michael addition >> Quinone type compounds OR Michael addition >>
Quinone type compounds >> Quinone methides OR Non-covalent interaction
OR Non-covalent interaction >> DNA intercalation OR Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
Side Chain OR Non-covalent interaction >> DNA intercalation >>
Fused-Ring Primary Aromatic Amines 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) >> Fused-Ring Primary Aromatic Amines OR Radical >> Radical
mechanism via ROS formation (indirect) >> Nitro Azoarenes OR Radical >>
Radical mechanism via ROS formation (indirect) >> Nitroaniline
Derivatives 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 Radical
>> ROS formation after GSH depletion OR Radical >> ROS formation after
GSH depletion (indirect) OR Radical >> ROS formation after GSH depletion
(indirect) >> Quinoneimines OR Radical >> ROS formation after GSH
depletion >> Quinone methides 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 >>
Fused-Ring Primary Aromatic Amines 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 >> Nitro Azoarenes OR SN1 >> Nucleophilic
attack after reduction and nitrenium ion formation >> Nitroaniline
Derivatives 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 >> DNA alkylation OR SN2 >> DNA alkylation >>
Alkylphosphates, Alkylthiophosphates and Alkylphosphonates 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 Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as 3-Methylcholantrene
(Hepatotoxicity) Alert OR Aliphatic amines (Mucous membrane irritation)
Rank C OR Amineptine (Hepatotoxicity) Alert OR Aromatic hydrocarbons
(Liver enzyme induction) Rank C OR Benzene/ Naphthalene sulfonic acids
(Less susceptible) Rank C OR Chlorphentermine (Hepatotoxicity) Alert OR
Hydroquinones (Hepatotoxicity) Rank B OR Methyldopa (Hepatotoxicity)
Alert OR Nitrophenols/ Halophenols (Energy metabolism dysfuntion) Rank B
OR o-/ p-Aminophenols (Hemolytic anemia with methemoglobinemia) Rank B
OR Oxyphenistain (Hepatotoxicity) Alert OR p-Alkylphenols
(Hepatotoxicity) Rank A OR p-Aminophenols (Renal toxicity) Rank B OR
Phenols (Mucous membrane irritation) Rank C OR Tamoxifen
(Hepatotoxicity) Alert OR Thiocarbamates/Sulfides (Hepatotoxicity) No
rank by Repeated dose (HESS)
Domain
logical expression index: "k"
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: "l"
Referential
boundary: The
target chemical should be classified as Aldehydes OR Aromatic amines OR
Ketones OR Phenols OR Sulfonic acids or their salts by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group CNHal Lipid
Solubility < 4 g/kg OR (!Undefined)Group CNHal Lipid Solubility < 400
g/kg by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Group All Melting Point > 200 C
by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Group C Aqueous Solubility <
0.0001 g/L OR Group CN Aqueous Solubility < 0.1 g/L OR Group CN log Kow
> 4.5 OR Group CN Melting Point > 180 C OR Group CN Vapour Pressure <
0.001 Pa by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "s"
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: "t"
Referential
boundary: The
target chemical should be classified as Group 3 - Lanthanoids by
Chemical elements
Domain
logical expression index: "u"
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: "v"
Referential
boundary: The
target chemical should be classified as Group 14 - Metalloids Si,Ge by
Chemical elements
Domain
logical expression index: "w"
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: "x"
Referential
boundary: The
target chemical should be classified as Group 15 - Phosphorus P by
Chemical elements
Domain
logical expression index: "y"
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: "z"
Referential
boundary: The
target chemical should be classified as Group 2 - Alkaline Earth
Be,Mg,Ca,Sr,Ba,Ra OR Group 4 - Trans.Metals Ti,Zr,Hf by Chemical elements
Domain
logical expression index: "aa"
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: "ab"
Referential
boundary: The
target chemical should be classified as Group 5 - Trans.Metals V,Nb,Ta
by Chemical elements
Domain
logical expression index: "ac"
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: "ad"
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: "ae"
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: "af"
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: "ag"
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: "ah"
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: "ai"
Referential
boundary: The
target chemical should be classified as Aromatic compound AND N-oxide
AND Phenol by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "aj"
Referential
boundary: The
target chemical should be classified as Aromatic compound AND N-oxide
AND Phenol by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "ak"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Hydroxy, aromatic
attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen
oxide, aromatic nitrogen [n=O] AND Nitrogen oxide, aromatic nitrogen
[n=O] non fused AND Olefinic carbon [=CH- or =C<] AND Oxygen, one
aromatic attach [-O-] AND Pyridine, non fused rings by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "al"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3.6
Domain
logical expression index: "am"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.73
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- 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 v3.3 and the QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3
- 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 - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or tissues and environmental conditions:
- no data available
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 0.1ml
- Duration of treatment / exposure:
- single exposure
- Observation period (in vivo):
- 24,48 and 72 hours
- Duration of post- treatment incubation (in vitro):
- no data available
- Number of animals or in vitro replicates:
- 6
- Details on study design:
- no data available
- Other effects / acceptance of results:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- Irritation was observed
- Interpretation of results:
- Category 1 (irreversible effects on the eye) based on GHS criteria
- Conclusions:
- 2-Hydroxypyridine 1-oxide was estimated to be highly irritating causing irreversible damage to the eyes of New Zealand White rabbits.
- Executive summary:
The ocular irritation potential of 2-Hydroxypyridine 1-oxide was estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
2-Hydroxypyridine 1-oxide was estimated to be highly irritating causing irreversible damage to the eyes of New Zealand White rabbits.
Based on the estimated results, 2-Hydroxypyridine 1-oxide can be considered to be highly irritating to eyes and can be classified under the category “Category 1” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((((((((((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and "u" )
and "v" )
and "w" )
and "x" )
and "y" )
and "z" )
and "aa" )
and ("ab"
and (
not "ac")
)
)
and ("ad"
and (
not "ae")
)
)
and ("af"
and (
not "ag")
)
)
and ("ah"
and (
not "ai")
)
)
and "aj" )
and "ak" )
and "al" )
and ("am"
and "an" )
)
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 Bioavailable by Lipinski Rule
Oasis ONLY
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 3 - Lanthanoids by
Chemical elements
Domain
logical expression index: "i"
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: "j"
Referential
boundary: The
target chemical should be classified as Group 9 - Trans.Metals Co,Rh,Ir
by Chemical elements
Domain
logical expression index: "k"
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: "l"
Referential
boundary: The
target chemical should be classified as Group 6 - Trans.Metals Cr,Mo,W
OR Group 7 - Trans.Metals Mn,Tc,Re by Chemical elements
Domain
logical expression index: "m"
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: "n"
Referential
boundary: The
target chemical should be classified as Group 4 - Trans.Metals Ti,Zr,Hf
by Chemical elements
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Halogens OR Metalloids by Groups
of elements
Domain
logical expression index: "q"
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: "r"
Referential
boundary: The
target chemical should be classified as Group 16 - Sulfur S by Chemical
elements
Domain
logical expression index: "s"
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: "t"
Referential
boundary: The
target chemical should be classified as Group 15 - Phosphorus P by
Chemical elements
Domain
logical expression index: "u"
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: "v"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Hydroxy, aromatic
attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen
oxide, aromatic nitrogen [n=O] AND Nitrogen oxide, aromatic nitrogen
[n=O] non fused AND Olefinic carbon [=CH- or =C<] AND Oxygen, one
aromatic attach [-O-] AND Pyridine, non fused rings by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Hydroxy, aromatic
attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen
oxide, aromatic nitrogen [n=O] AND Nitrogen oxide, aromatic nitrogen
[n=O] non fused AND Olefinic carbon [=CH- or =C<] AND Oxygen, one
aromatic attach [-O-] AND Pyridine, non fused rings by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Hydroxy, aromatic
attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen
oxide, aromatic nitrogen [n=O] AND Nitrogen oxide, aromatic nitrogen
[n=O] non fused AND Olefinic carbon [=CH- or =C<] AND Oxygen, one
aromatic attach [-O-] AND Pyridine, non fused rings by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Hydroxy, aromatic
attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen
oxide, aromatic nitrogen [n=O] AND Nitrogen oxide, aromatic nitrogen
[n=O] non fused AND Olefinic carbon [=CH- or =C<] AND Oxygen, one
aromatic attach [-O-] AND Pyridine, non fused rings by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Hydroxy, aromatic
attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen
oxide, aromatic nitrogen [n=O] AND Nitrogen oxide, aromatic nitrogen
[n=O] non fused AND Olefinic carbon [=CH- or =C<] AND Oxygen, one
aromatic attach [-O-] AND Pyridine, non fused rings by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aromatic Carbon [C] AND Aromatic Nitrogen AND Hydroxy, aromatic
attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen
oxide, aromatic nitrogen [n=O] AND Nitrogen oxide, aromatic nitrogen
[n=O] non fused AND Olefinic carbon [=CH- or =C<] AND Oxygen, one
aromatic attach [-O-] AND Pyridine, non fused rings by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Lysine peptide depletion
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Low reactive OR Low reactive >>
Epoxides OR Low reactive >> Short-chain alpha-alkyl cinnamaldehyde
derivatives OR Moderate reactive OR Moderate reactive >> Cinnamaldehyde
type compounds by DPRA Lysine peptide depletion
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as High reactive OR High reactive
>> alpha,beta-carbonyl compounds with polarized multiple bonds by DPRA
Cysteine peptide depletion
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "ag"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >>
Hydroquinones OR Michael addition >> P450 Mediated Activation to
Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and
heterocyclic (HACs) aromatic hydrocarbons-Michael addition OR SN1 OR SN1
>> Carbenium Ion Formation OR SN1 >> Carbenium Ion Formation >>
Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1 by
DNA binding by OECD
Domain
logical expression index: "ah"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "ai"
Referential
boundary: The
target chemical should be classified as SN2 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 by DNA binding by OASIS v.1.3
Domain
logical expression index: "aj"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (original) ONLY
Domain
logical expression index: "ak"
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: "al"
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: "am"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.73
Domain
logical expression index: "an"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.35
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irreversible damage)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studieshas been investigated for the test chemicalPyridin-2-ol 1-oxide (CAS No: 13161-30-3)to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits and guinea pigs target chemicalPyridin-2-ol 1-oxide (CAS No: 13161-30-3) and its structurally similar read across substances3-methylpyridine (CAS No: 108-99-6 )and2-vinyl pyridine (CAS No: 100-69-6) .The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the skin irritation potential was estimated for test chemicalPyridin-2-ol 1-oxide (CAS No: 13161-30-3).The chemical Pyridin-2-ol 1-oxide (CAS No: 13161-30-3)is estimated to be highly irritating to skin of New Zealand White rabbits.
The U.S National Library of Medicine (2015) conducted the dermal irritation potential ofstructurally similar read across substance3-methylpyridine (CAS No: 108-99-6) in rabbits which supports the above mentioned result. Undiluted 3-methylpyridine was applied to the skin of male New Zealand albino rabbits and observed for signs of irritation till 7 or 14 days. Following 7 or 14 days rabbits were killed and histological examinations were performed on the test site.The skin irritation potential was characterized by cutaneous primary irritation index (PII). The Primary Irritation index (PII) for 3-methylpyridine was 6.8. Histological examination of the skin showed necrosis, ulceration and regeneration of tissues. Based on these observations, 3-methylpyridine can be considered to be severely irritating to rabbit skin.
The above results were further supported by the experimental study conducted by U.S. EPA (2009) ofstructurally similar read across substance2-vinyl pyridine (CAS No: 100-69-6) in guinea pigs. The undiluted 5, 2, 1, 0.5, 0.35, 0.2, 0.1, 0.05 mL/kg of 2-vinyl pyridine was applied under occlusion to the skin of guinea pigs for 24 hours. 10 guinea pigs per dose were used for the study. The guinea pigs were observed for signs of irritation and scored. Scoring was based onqualitative parameters of “slight, moderate, strong or severe”. All guinea pigs dosed with 5, 2, 1, 0.5 or 0.35 mL/kg of 2-vinyl pyridine died .Six of ten guinea pigs dosed with 0.2 mL/kg of 2-vinyl pyridine died. Only one guinea pig dosed with 0.1 or 0.05 ml/kg of 2-vinyl pyridine died. Based on these observations, 2-vinyl pyridine was considered to be a strong dermal irritant to guinea pig skin.
Thus on the basis of available data for thetarget chemicalPyridin-2-ol 1-oxide (CAS No: 13161-30-3) and its structurally similar read across substances3-methylpyridine (CAS No: 108-99-6 )and2-vinyl pyridine (CAS No: 100-69-6),it can be concluded thatchemical Pyridin-2-ol 1-oxide (CAS No: 13161-30-3) is able to cause skin irritation and considered as irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2 (irritant)”.
Eye irritation:
In different studies,the test chemicalPyridin-2-ol 1-oxide (CAS No: 13161-30-3) has been investigated for potential for ocular irritationto a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemicalPyridin-2-ol 1-oxide (CAS No: 13161-30-3) and its structurally similar read across substances3-methylpyridine (CAS No: 108-99-6)andPyridine (CAS NO: 110-86-1). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the ocular irritation potential was estimated for test chemicalPyridin-2-ol 1-oxide (CAS No: 13161-30-3).The chemical Pyridin-2-ol 1-oxide (CAS No: 13161-30-3) is estimated to be severely irritating to eyes of New Zealand White rabbits.
The U.S National Library of Medicine (2015) conducted the ocular irritation potential ofstructurally similar read across substance3-methylpyridine (CAS No: 108-99-6) in rabbits which supports the above mentioned result. Undiluted 3-methylpyridine was applied to the eyes of male New Zealand albino rabbits and observed for signs of irritation till 7 or 14 days. Following 7 or 14 days rabbits were killed and histological examinations were performed on the eyes. Eye irritation was characterized by ocular irritation indices (OII). Eye irritation assessments showed that irritation was maximal either 1 hr or 1 day after exposure. Histological examination of the eyes showed keratitis lesions in corneal epithelial tissue, fibrillary edematous lamallae dissociation, and cellular inflammatory infiltration. Over longer periods of time, which included recovery, 3-methylpyridine was considered to be severely irritating and causes irreversible damage to rabbit eyes.
The above results were further supported by the experimental study conducted by the MAK Collection for Occupational Health and Safety (2012) forstructurally similar read across substance Pyridine (CAS NO: 110-86-1) in rabbits. The undiluted pyridine was instilled into the eyes of 6 male rabbits and observed for signs of irritation till 7 days. Irritation of the conjunctivae, inflammations of the iris and corneal turbidity occurred which was not reversible within 7 days. Based on these observations, pyridine was considered to be a highly irritating causing irreversible damage to rabbit eyes.
Thus on the basis of available data for thetarget chemicalPyridin-2-ol 1-oxide (CAS No: 13161-30-3) and its structurally similar read across substances3-methylpyridine (CAS No: 108-99-6)andPyridine (CAS NO: 110-86-1),it can be concluded thatchemical Pyridin-2-ol 1-oxide (CAS No: 13161-30-3) is able to cause irreversible ocular lesions and considered as eye irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category“Category 1”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemicalPyridin-2-ol 1-oxide (CAS No: 13161-30-3) and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicate that the chemicalPyridin-2-ol 1-oxideis likely to cause skin and eye irritation. HencePyridin-2-ol 1-oxide (CAS No: 13161-30-3)can be classified under the category “Category 2 (irritant)”for skin and“Category 1” foreye as per CLP.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
