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EC number: 226-373-1 | CAS number: 5382-16-1
- 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 QMRF 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: 4-Hydroxypiperidine
- Molecular formula: C5H11NO
- Molecular weight: 101.148 g/mol
- Smiles notation: N1CCC(CC1)O
- InChl: 1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2
- Substance type: Organic
- Physical state: Solid - Analytical monitoring:
- not specified
- 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
- Total exposure duration:
- 48 h
- Post exposure observation period:
- No data available
- Hardness:
- 250 ± 25 mg/L
- Test temperature:
- 20 ± 2°C
- pH:
- 7.8 ± 0.1
- Dissolved oxygen:
- No data available
- Salinity:
- No data available
- Conductivity:
- No data available
- Nominal and measured concentrations:
- No data available
- Details on test conditions:
- No data available
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 143.395 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Remarks on result:
- other: Nontoxic
- 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 143.39 mg/l when Piperidin-4-ol (IUPAC name:4-Hydroxypiperidine) 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 seven closest read across substances, toxicity on daphnia magna predicted for Piperidin-4-ol (IUPAC name:4-Hydroxypiperidine). The EC50 value was estimated to be 143.39 mg/l when Piperidin-4-ol 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 7 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((("a"
or "b" or "c" or "d" )
and "e" )
and "f" )
and "g" )
and ("h"
and (
not "i")
)
)
and "j" )
and "k" )
and ("l"
and (
not "m")
)
)
and "n" )
and ("o"
and "p" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Secondary amines by OECD HPV
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by US-EPA New
Chemical Categories
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Narcotic Amine by Acute aquatic
toxicity MOA by OASIS
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by Aquatic
toxicity classification by ECOSAR
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 ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Narcotic Amine by Acute aquatic
toxicity MOA by OASIS ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Benzodioxoles OR Nicotinoids by
Aquatic toxicity classification by ECOSAR
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:
OC1CCNCC1
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "l"
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: "m"
Referential
boundary: The
target chemical should be classified as Group CN Aqueous Solubility <
0.1 g/L OR Group CN log Kow > 4.5 OR Group CN Molecular Weight > 290
g/mol OR Group CN Vapour Pressure < 0.001 Pa by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.642
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.7
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 seven closest read across substances, toxicity on daphnia magna predicted for Piperidin-4-ol. The EC50 value was estimated to be 143.39 mg/l when Piperidin-4-ol exposed to daphnia magna for 48hrs.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 143.39 mg/L
Additional information
Based on the various experimental data and prediction data for the target chemical as well as RA chemical which was selected on the basis of structure similarity study have been reviewed to determine the toxic nature of Piperidin-4-ol (5382-16-1) on the mobility of invertebrates. The studies are as mentioned below:
In the first weight of evidence study for target chemical Piperidin-4-ol (5382-16-1) from QSAR 2017, Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the seven closest read across substances, toxicity on daphnia magna predicted for Piperidin-4-ol(IUPAC name:4-Hydroxypiperidine). The EC50 value was estimated to be 143.39 mg/l whenPiperidin-4-ol exposed to daphnia magna for 48hrs.
In the second weight of evidence study for the Piperidin-4-ol (5382-16-1) from ACD lab, ACD labs predicted median Lethal Concentration (LC50) of daphnia magna using v5.0.0.184. The value is supported by estimated Reliability Index (RI). Based on this, the LC 50 value for test item Piperidin-4-ol was predicted to be 540 mg/l for Daphnia magna. On the basis of predicted value it can be concluded that the substance Piperidin-4-ol is considered to be not toxic to aquatic environment and not classified as toxic as per the criteria mentioned in CLP regulation.
Similarly in the third weight of evidence studyfor the Piperidin-4-ol (5382-16-1) from EPISUITE 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 4898.511 mg/l for Piperidin-4-ol in 48 hrs. Based on this value it can be concluded that the substance Piperidin-4-ol 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 fourth experimental study for the RA chemical (106-52-5) from ABITEC report 2017 selected on the basis of structure similarity Determination of the inhibition of the mobility of daphnids was carried out with the substance 1-methylpiperidin-4-ol according to OECD Guideline 202. The test substance was tested at the concentrations 0, 12, 25, 50, 100, 200 mg/L. Effects on immobilisation were observed for 48 hours. The median effective concentration (EC50) for the test substance, 1-methyl - piperidin-4-ol, in Daphnia magna was determined to be 113 mg/L for immobilisation effects, with the 95% CI of 97.8 -130.4 mg/l. This value indicates that the substance 1-methylpiperidin-4-ol is likely to be non-hazardous to aquatic invertebrates and cannot be classified as toxic as per the CLP criteria.
Similarly in the fifth weight of evidence study for another RA chemical (110 -85 -0) J-check, selected on the basis of functional similarity with the target chemical, Determination of short term toxicity of Piperazine on the mobility of daphnia was conducted for 48 hrs. Test was performed according to the standard OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test). Based on the immobilization of daphnia species due to the exposure of chemical Piperazine, the EC50 was 110 mg/l. Thus it was concluded that the chemical was nontoxic and can be consider to be not classified as toxic as per the CLP classification criteria.
Based on the data from various sources, it can be concluded that the substance Piperidin-4-ol (5382-16-1) is considered to be not toxic to aquatic environment and cannot be classified as toxic as per the criteria mentioned in CLP regulation.
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