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EC number: 203-406-8 | CAS number: 106-52-5
- 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
Endpoint summary
Administrative data
Description of key information
Skin Irritation:
The substance 4-Piperidinol, 1-methyl- is estimated to be not irritating to skin of rabbit
Eye Irritation:
1-methylpiperidin-4-ol was estimated to be not irritating to rabbit eyes. Even though the QSAR prediction for the target suggests that it is not irritating to eyes, but information from various read across substances having high similarity with the target indicate the possibility of irritating nature of the test chemical. Therefore, by applying the weight of evidence approach, the target chemical, 1-methylpiperidin-4-ol can be considered as an eye irritant.
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 QSAR Toolbox version 3.4 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Prediction is done using QSAR Toolbox version 3.4
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 4-Piperidinol, 1-methyl-
- Molecular formula: C6H13NO
- Molecular weight: 115.175 g/mol
- Smiles: C1N(CCC(C1)O)C
- InChl): 1S/C6H13NO/c1-7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
- Substance type: organic
- Physical state: liquid - Test system:
- other: not specified
- Source species:
- rabbit
- Cell type:
- other: not specified
- Cell source:
- other: not specified
- Source strain:
- not specified
- Details on animal used as source of test system:
- no data
- Vehicle:
- not specified
- Control samples:
- not specified
- Amount/concentration applied:
- no data
- Duration of treatment / exposure:
- no data
- Duration of post-treatment incubation (if applicable):
- no data
- Number of replicates:
- no data
- Species:
- rabbit
- Strain:
- New Zealand White
- Type of coverage:
- not specified
- Preparation of test site:
- not specified
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- no data
- Duration of treatment / exposure:
- no data
- Observation period:
- no data
- Number of animals:
- no data
- Details on study design:
- no data
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Score:
- 0
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The substance 4-Piperidinol, 1-methyl- is estimated to be not irritating to skin of rabbit
- Executive summary:
The skin irritation potential for 4-Piperidinol, 1-methyl- is estimated using OECD QSAR toolbox version 3.4. The test substance 4-Piperidinol, 1-methyl- is estimated to be not irritating to skin of rabbit.
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(not
"g")) ) and("h"
and(not
"i")) ) and("j"
and(not
"k")) ) and("l"
and "m") )
Domain
logical expression index: "a"
Referential
boundary:The
target chemical should be classified as Aliphatic Amines by US-EPA New
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary:The
target chemical should be classified as Alcohol AND Piperidine AND
Saturated heterocyclic amine AND Saturated heterocyclic fragment by
Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as Alcohol AND Overlapping groups
AND Piperidine AND Saturated heterocyclic amine AND Saturated
heterocyclic fragment by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary:The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Amino,
aliphatic attach [-N<] AND Hydroxy, aliphatic attach [-OH] by Organic
functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary:The
target chemical should be classified as Alcohol AND Amine AND
Heterocyclic compound AND Hydroxy compound AND Secondary alcohol AND
Tertiary aliphatic amine AND Tertiary amine by Organic functional
groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary:The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
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 >> Quinones and Trihydroxybenzenes OR AN2 >> Carbamoylation
after isocyanate formation OR AN2 >> Carbamoylation after isocyanate
formation >> N-Hydroxylamines 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 >> Schiff base formation by aldehyde formed after
metabolic activation OR AN2 >> Schiff base formation by aldehyde formed
after metabolic activation >> Geminal Polyhaloalkane Derivatives 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 >> Amino
Anthraquinones OR Non-covalent interaction >> DNA intercalation >> DNA
Intercalators with Carboxamide and Aminoalkylamine Side Chain OR
Non-covalent interaction >> DNA intercalation >> Quinones and
Trihydroxybenzenes OR Radical OR Radical >> Generation of ROS by
glutathione depletion (indirect) OR Radical >> Generation of ROS by
glutathione depletion (indirect) >> Haloalkanes Containing Heteroatom OR
Radical >> Radical mechanism via ROS formation (indirect) OR Radical >>
Radical mechanism via ROS formation (indirect) >> Amino Anthraquinones
OR Radical >> Radical mechanism via ROS formation (indirect) >> Geminal
Polyhaloalkane Derivatives OR Radical >> Radical mechanism via ROS
formation (indirect) >> N-Hydroxylamines OR Radical >> Radical mechanism
via ROS formation (indirect) >> Quinones and Trihydroxybenzenes OR
Radical >> Radical mechanism via ROS formation (indirect) >> Single-Ring
Substituted Primary Aromatic Amines OR Radical >> Radical mechanism via
ROS formation (indirect) >> Thiols OR Radical >> ROS formation after GSH
depletion (indirect) OR Radical >> ROS formation after GSH depletion
(indirect) >> Haloalcohols OR SN1 OR SN1 >> Carbenium ion formation OR
SN1 >> Carbenium ion formation >> Alpha-Haloethers OR SN1 >>
Nucleophilic attack after carbenium ion formation OR SN1 >> Nucleophilic
attack after carbenium ion formation >> Specific Acetate Esters OR SN1
>> Nucleophilic attack after metabolic nitrenium ion formation OR SN1 >>
Nucleophilic attack after metabolic nitrenium ion formation >> Amino
Anthraquinones OR SN1 >> Nucleophilic attack after nitrenium ion
formation OR SN1 >> Nucleophilic attack after nitrenium ion formation >>
N-Hydroxylamines OR SN1 >> Nucleophilic attack after nitrenium ion
formation >> Single-Ring Substituted Primary Aromatic Amines OR SN2 OR
SN2 >> Acylation OR SN2 >> Acylation >> N-Hydroxylamines OR SN2 >>
Acylation >> Specific Acetate Esters OR SN2 >> Acylation involving a
leaving group after metabolic activation OR SN2 >> Acylation involving a
leaving group after metabolic activation >> Geminal Polyhaloalkane
Derivatives OR SN2 >> Alkylation OR SN2 >> Alkylation >>
Alkylphosphates, Alkylthiophosphates and Alkylphosphonates OR SN2 >>
Alkylation by epoxide metabolically formed after E2 reaction OR SN2 >>
Alkylation by epoxide metabolically formed after E2 reaction >>
Haloalcohols OR SN2 >> Alkylation, direct acting epoxides and related OR
SN2 >> Alkylation, direct acting epoxides and related >> Epoxides and
Aziridines OR SN2 >> Alkylation, direct acting epoxides and related
after cyclization OR SN2 >> Alkylation, direct acting epoxides and
related after cyclization >> Nitrogen and Sulfur Mustards OR SN2 >>
Alkylation, nucleophilic substitution at sp3-carbon atom OR SN2 >>
Alkylation, nucleophilic substitution at sp3-carbon atom >> Haloalkanes
Containing Heteroatom OR SN2 >> Alkylation, nucleophilic substitution at
sp3-carbon atom >> Sulfonates and Sulfates OR SN2 >> Alkylation, ring
opening SN2 reaction OR SN2 >> Alkylation, ring opening SN2 reaction >>
Four- and Five-Membered Lactones OR SN2 >> Nucleophilic substitution at
sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom
>> Haloalkanes Containing Heteroatom OR SN2 >> Nucleophilic substitution
at sp3 Carbon atom >> Specific Acetate Esters OR SN2 >> Nucleophilic
substitution at sp3 carbon atom after thiol (glutathione) conjugation OR
SN2 >> Nucleophilic substitution at sp3 carbon atom after thiol
(glutathione) conjugation >> Geminal Polyhaloalkane Derivatives OR SN2
>> SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >>
Alpha-Haloethers by DNA binding by OASIS v.1.4
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as SN1 AND SN1 >> Iminium Ion
Formation AND SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines
by DNA binding by OECD
Domain
logical expression index: "i"
Referential
boundary:The
target chemical should be classified as Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >>
Benzylamines-Acylation OR Michael addition OR Michael addition >> P450
Mediated Activation of Heterocyclic Ring Systems OR Michael addition >>
P450 Mediated Activation of Heterocyclic Ring Systems >>
Thiophenes-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 >> Alkyl
phenols OR Michael addition >> P450 Mediated Activation to Quinones and
Quinone-type Chemicals >> Arenes OR Michael addition >> Polarised
Alkenes-Michael addition OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated amides OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated esters OR No alert found OR Schiff base formers OR Schiff
base formers >> Chemicals Activated by P450 to Glyoxal OR Schiff base
formers >> Chemicals Activated by P450 to Glyoxal >> Ethanolamines
(including morpholine) OR Schiff base formers >> Chemicals Activated by
P450 to Glyoxal >> Ethylenediamines (including piperazine) OR Schiff
base formers >> Chemicals Activated by P450 to Mono-aldehydes OR Schiff
base formers >> Chemicals Activated by P450 to Mono-aldehydes >>
Benzylamines-Schiff base OR SN1 >> Nitrenium Ion formation OR SN1 >>
Nitrenium Ion formation >> Aromatic azo OR SN1 >> Nitrenium Ion
formation >> Aromatic nitro OR SN1 >> Nitrenium Ion formation >> Primary
(unsaturated) heterocyclic amine OR SN1 >> Nitrenium Ion formation >>
Primary aromatic amine OR SN1 >> Nitrenium Ion formation >> Secondary
aromatic amine OR SN1 >> Nitrenium Ion formation >> Tertiary
(unsaturated) heterocyclic amine OR SN1 >> Nitrenium Ion formation >>
Tertiary aromatic amine OR SN2 OR SN2 >> Episulfonium Ion Formation OR
SN2 >> Episulfonium Ion Formation >> Mustards OR SN2 >> P450 Mediated
Epoxidation OR SN2 >> P450 Mediated Epoxidation >> Thiophenes-SN2 by DNA
binding by OECD
Domain
logical expression index: "j"
Referential
boundary:The
target chemical should be classified as Non binder, impaired OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary:The
target chemical should be classified as Non binder, MW>500 OR Non
binder, non cyclic structure OR Non binder, without OH or NH2 group OR
Strong binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.552
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.15
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not 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 from OECD QSAR toolbox v 3.4 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v 3.4
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 1-methylpiperidin-4-ol
- Molecular formula: C6H13NO
- Molecular weight: 115.175 g/mol
- Substance type: Organic
- Physical state: Liquid - Species:
- rabbit
- Strain:
- not specified
- Details on test animals or tissues and environmental conditions:
- no data
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data
- Observation period (in vivo):
- No data
- Duration of post- treatment incubation (in vitro):
- No data
- Number of animals or in vitro replicates:
- No data
- Details on study design:
- No data
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: No data
- Score:
- 0
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- 1-methylpiperidin-4-ol was estimated to be not irritating to rabbit eyes.
- Executive summary:
The ocular irritation potential of 1-methylpiperidin-4-ol was estimated using OECD QSAR toolbox v 3.4. 1-methylpiperidin-4-ol was estimated to be not irritating to rabbit eyes.
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(not
"g")) ) and("h"
and(not
"i")) ) and("j"
and(not
"k")) ) and("l"
and "m") )
Domain
logical expression index: "a"
Referential
boundary:The
target chemical should be classified as Aliphatic Amines by US-EPA New
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary:The
target chemical should be classified as Alcohol AND Piperidine AND
Saturated heterocyclic amine AND Saturated heterocyclic fragment by
Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as Alcohol AND Overlapping groups
AND Piperidine AND Saturated heterocyclic amine AND Saturated
heterocyclic fragment by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary:The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Amino,
aliphatic attach [-N<] AND Hydroxy, aliphatic attach [-OH] by Organic
functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary:The
target chemical should be classified as Alcohol AND Amine AND
Heterocyclic compound AND Hydroxy compound AND Secondary alcohol AND
Tertiary aliphatic amine AND Tertiary amine by Organic functional
groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary:The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
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 >> Quinones and Trihydroxybenzenes OR AN2 >> Carbamoylation
after isocyanate formation OR AN2 >> Carbamoylation after isocyanate
formation >> N-Hydroxylamines OR AN2 >> Schiff base formation by
aldehyde formed after metabolic activation OR AN2 >> Schiff base
formation by aldehyde formed after metabolic activation >> Geminal
Polyhaloalkane Derivatives 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 >> Amino Anthraquinones OR Non-covalent interaction >> DNA
intercalation >> DNA Intercalators with Carboxamide and Aminoalkylamine
Side Chain OR Non-covalent interaction >> DNA intercalation >> Quinones
and Trihydroxybenzenes OR Radical OR Radical >> Radical mechanism via
ROS formation (indirect) OR Radical >> Radical mechanism via ROS
formation (indirect) >> Amino Anthraquinones OR Radical >> Radical
mechanism via ROS formation (indirect) >> Geminal Polyhaloalkane
Derivatives OR Radical >> Radical mechanism via ROS formation (indirect)
>> N-Hydroxylamines OR Radical >> Radical mechanism via ROS formation
(indirect) >> Quinones and Trihydroxybenzenes OR Radical >> Radical
mechanism via ROS formation (indirect) >> Thiols OR Radical >> ROS
formation after GSH depletion (indirect) OR Radical >> ROS formation
after GSH depletion (indirect) >> Haloalcohols OR SN1 OR SN1 >>
Carbenium ion formation OR SN1 >> Carbenium ion formation >>
Alpha-Haloethers OR SN1 >> Nucleophilic attack after carbenium ion
formation OR SN1 >> Nucleophilic attack after carbenium ion formation >>
Specific Acetate Esters OR SN1 >> Nucleophilic attack after metabolic
nitrenium ion formation OR SN1 >> Nucleophilic attack after metabolic
nitrenium ion formation >> Amino Anthraquinones OR SN1 >> Nucleophilic
attack after nitrenium ion formation OR SN1 >> Nucleophilic attack after
nitrenium ion formation >> N-Hydroxylamines OR SN2 OR SN2 >> Acylation
OR SN2 >> Acylation >> N-Hydroxylamines OR SN2 >> Acylation >> Specific
Acetate Esters OR SN2 >> Acylation involving a leaving group after
metabolic activation OR SN2 >> Acylation involving a leaving group after
metabolic activation >> Geminal Polyhaloalkane Derivatives OR SN2 >>
Alkylation OR SN2 >> Alkylation >> Alkylphosphates, Alkylthiophosphates
and Alkylphosphonates OR SN2 >> Alkylation by epoxide metabolically
formed after E2 reaction OR SN2 >> Alkylation by epoxide metabolically
formed after E2 reaction >> Haloalcohols OR SN2 >> Alkylation, direct
acting epoxides and related OR SN2 >> Alkylation, direct acting epoxides
and related >> Epoxides and Aziridines OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at
sp3 Carbon atom >> Specific Acetate Esters OR SN2 >> Nucleophilic
substitution at sp3 carbon atom after thiol (glutathione) conjugation OR
SN2 >> Nucleophilic substitution at sp3 carbon atom after thiol
(glutathione) conjugation >> Geminal Polyhaloalkane Derivatives OR SN2
>> SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >>
Alpha-Haloethers by DNA binding by OASIS v.1.4
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as SN1 AND SN1 >> Iminium Ion
Formation AND SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines
by DNA binding by OECD
Domain
logical expression index: "i"
Referential
boundary:The
target chemical should be classified as Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >>
Benzylamines-Acylation OR Michael addition OR Michael addition >> P450
Mediated Activation of Heterocyclic Ring Systems OR Michael addition >>
P450 Mediated Activation of Heterocyclic Ring Systems >>
Thiophenes-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 >> Alkyl
phenols OR Michael addition >> P450 Mediated Activation to Quinones and
Quinone-type Chemicals >> Arenes OR Michael addition >> Polarised
Alkenes-Michael addition OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated amides OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated esters OR No alert found OR Schiff base formers OR Schiff
base formers >> Chemicals Activated by P450 to Glyoxal OR Schiff base
formers >> Chemicals Activated by P450 to Glyoxal >> Ethanolamines
(including morpholine) OR Schiff base formers >> Chemicals Activated by
P450 to Glyoxal >> Ethylenediamines (including piperazine) OR Schiff
base formers >> Chemicals Activated by P450 to Mono-aldehydes OR Schiff
base formers >> Chemicals Activated by P450 to Mono-aldehydes >>
Benzylamines-Schiff base OR SN1 >> Nitrenium Ion formation OR SN1 >>
Nitrenium Ion formation >> Aromatic azo OR SN1 >> Nitrenium Ion
formation >> Aromatic nitro OR SN1 >> Nitrenium Ion formation >> Primary
(unsaturated) heterocyclic amine OR SN1 >> Nitrenium Ion formation >>
Secondary aromatic amine OR SN1 >> Nitrenium Ion formation >> Tertiary
aromatic amine OR SN2 OR SN2 >> P450 Mediated Epoxidation OR SN2 >> P450
Mediated Epoxidation >> Thiophenes-SN2 by DNA binding by OECD
Domain
logical expression index: "j"
Referential
boundary:The
target chemical should be classified as Non binder, impaired OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary:The
target chemical should be classified as Non binder, MW>500 OR Non
binder, non cyclic structure OR Non binder, without OH or NH2 group OR
Strong binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.552
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.15
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin Irritation:
The skin irritation potential for 4-Piperidinol, 1-methyl- is estimated using OECD QSAR toolbox version 3.4. The test substance 4-Piperidinol, 1-methyl- is estimated to be not irritating to skin of rabbit.
Various studies for similar substances RA CAS 105-59-9 and CAS 551-16-6 (IUCLID Dataset, 2000) were conducted to evaluate their irritation potential.
A skin irritation test was carried out in rabbits to determine the skin irritation potency of the similar substance 105-59-9 by Draize Test. No known skin reactions were observed. Therefore the test chemical N-Methyldiethanolamine can be considered as not irritating to rabbits skin.
A skin irritation test was carried out in rabbits to determine the skin irritation potency of the similar substance 551–16–6. No known skin reactions were observed. Therefore the test chemical 6–aminopenicillanic acid can be considered as not-irritating to rabbit’s skin.
Based on the available information for the target as well various read across substances, and applying the weight of evidence approach,1-methylpiperidin-4-ol can be considered as non – irritant to skin.
Eye Irritation:
The ocular irritation potential of 1-methylpiperidin-4-ol was estimated using OECD QSAR toolbox v 3.4. 1-methylpiperidin-4-ol was estimated to be not irritating to rabbit eyes.
An ocular irritation study was performed (Invest Ophthalmol Vis Sci. 2005; 46:1640–1646) to assess the level of ocular injury caused due to exposure to the similar RA substance CAS 51-75-2. A total of 52 New Zealand Albino rabbits weighing 2.5 to 3.5 kg were used. All animal experiments were conducted in compliance with the ARVO Statement for the Use of Animals in Ophthalmic and Vision Research. One eye in each of 52 rabbits was exposed to 2% nitrogen mustard (NM).Eight eyes (four animals) that were not exposed to NM served as the control. Animals were anesthetized with ketamine HCl (Ketalar, 50mg/kg) injected intramuscularly in combination with the relaxing agent xylazine (0.5 mg/kg). Local anesthetic drops (benoxinate HCl 0.4) were administered. Briefly, NM (mechlorethamine), at a concentration of 2% in saline, was applied to the cornea of one eye of each animal (the experimental eye) for 5 minutes within a trephine. Immediately after application, NM was quickly absorbed from within the trephine with small Weck-cell sponges, followed by washing of the eye with copious amounts of normal saline. In control eyes (four additional animals, eight eyes), saline solution (instead of NM) was applied to the cornea for 5 minutes, also within the trephine. In control experiments, the vehicle (saline) was used as eye drops after exposure to NM. During the experiment and follow-up, intramuscular dipyrone injections (10 mg/kg) were given to animals showing pain or distress. Slit-lamp examinations were performed at 24 hours after exposure, and subsequently at days 4, 7, 10, 14, 17, 21, 25, and 29. In each examination, the following parameters were recorded: Area of corneal epithelial loss (corneal erosion), Degree of corneal opacity, Degree of iris pigmentation, Degree of corneal neo-vascularization (CNV). Exposure to NM causes severe and long-lasting injury to ocular anterior segment structures. Injury to the conjunctiva and cornea in a saline-administered eye 1 day after exposure to 2% NM was noted. Conjunctival and corneal injury, scarring, and neo-vascularization evolved over the entire duration of the experiment (4 weeks) in such eyes. Corneal Neo- vascularization developed to various degrees in all groups after exposure to NM. An increase in Intra Ocular Pressure occurred after exposure to NM, peaking at day 4 in all study groups. Exposure to NM caused iris atrophy and pigmentation together with pupil dilation in all study groups. On the basis of these observations, we can consider Nitrogen mustard to be irritating to eyes.
Acute toxicity studies (American Industrial Hygiene Association Journal, 1962, 23:2, 95-107) were carried out to estimate the toxicity of the similar RA substance CAS 109-01-3. Eye injury in rabbits was recorded in a 10- grade ordinal series and was based upon the degree of corneal necrosis that resulted from instillation of various volumes and concentrations of chemical. Grade 1 indicates at most a very small area of necrosis resulting from 0.5 ml of undiluted chemical in the eye. Grade 5 indicates a so-called severe burn from 0.005 ml, and Grade 10 indicates a severe burn from 0.5 ml of a 1% solution in water or propylene glycol. Primary Eye Irritation score after 24 hours for 1-methyl piperazine was Grade 8. Based on the grade, 1-methyl piperazinewas considered to be severely irritating to eyes.
Another eye irritation study was conducted (RTECS Number - TM1225000;last updated: 201204) to evaluate irritation potential of the other RA similar substance CAS 109-01-3. 750micrograms of the test chemical was instilled in to rabbit eyes and effects were observed for 24 hours. Severe irritation effects were observed after 24 hours of instillation of the test chemical. Therefore,1-methyl piperazine was considered to be severely irritating to eyes.
An eye irritation study was conducted (The MAK Collection for Occupational Health and Safety, Volume 9, pg 292–294, 2012) to evaluate irritation potential of the similar substance CAS 105-59-9. 50 microliters of the test chemical was instilled into eyes of rabbits and effects were observed for 8 days. Symptoms like redness, swelling and clouding of the cornea as well as conjunctival bleeding were observed in rabbits which were reversible after 8 days. Based on these observations, 2, 2’-(methylimino)bisethanol was severely irritating to rabbit eyes.
Another eye irritation study was conducted (IUCLID Dataset, 2000) to evaluate irritation potential of the similar substance CAS 105-59-9. Eye injury in rabbits was recorded in a 10- grade ordinal series and was based upon the degree of corneal necrosis that results from instillation of various volumes and concentrations of chemical. Grade 1 indicates at most a very small area of necrosis resulting from 0.5 ml of undiluted chemical in the eye. Grade 5 indicates a so-called severe burn from 0.005 ml, and Grade 10 indicates a severe burn from 0.5 ml of a 1% solution in water or propylene glycol. Primary Eye Irritation score for 2,2'-(methylimino)bisethanol was Grade 4. Based on the grade, 2,2'-(methylimino)bisethanolwas considered to be moderately irritating to eyes.
Even though the QSAR prediction for the target suggests that it is not irritating to eyes, but information from various read across substances having high similarity with the target indicate the possibility of irritating nature of the test chemical. Therefore, by applying the weight of evidence approach, the target chemical, 1-methylpiperidin-4-ol can be considered as an eye irritant under category 2.
Justification for classification or non-classification
Based on weight of evidence approach for target 4-piperidinol, 1-methyl- (CAS no 106-52-5) and its structurally related read across substances (CAS no 105 -59 -9 and 551 -16 -6) can be considered as non – irritant to skin. Also, by applying the weight of evidence approach, the target chemical, 1-methylpiperidin-4-ol can be considered as an eye irritant under category 2.
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