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EC number: 205-569-0 | CAS number: 142-88-1
- 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
Toxicity to reproduction
Administrative data
- Endpoint:
- toxicity to reproduction
- Remarks:
- other: screening;repeated dose and reproductive/developmental toxicity screening test;combined repeated dose and reproduction / developmental screening;Combined Repeated Dose Toxicity Study with the Reproduction / Developmental Toxicity Screening Test
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Prediction report
- Title:
- [R]: 695 mg/kg bw/day "Human Health Hazards#Toxicity to Reproduction" for 142-88-1
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR toolbox version 3.0
Materials and methods
Test guideline
- Guideline:
- other: OECD Guideline 421 (Reproduction / Developmental Toxicity Screening Test);OECD Guideline 422 (Combined Repeated Dose Toxicity Study with the Reproduction / Developmental Toxicity Screening Test)
- Principles of method if other than guideline:
- QSAR prediction is done using the QSAR toolbox version 3.0
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Piperazine adipate
- EC Number:
- 205-569-0
- EC Name:
- Piperazine adipate
- Cas Number:
- 142-88-1
- Molecular formula:
- C6H10O4.C4H10N2
- IUPAC Name:
- piperazine adipate
- Details on test material:
- SMILES:C(=O)(O)CCCCC(=O)O_C1CNCCN1
Constituent 1
Test animals
- Species:
- rat
- Strain:
- other: Sprague-Dawley;Slc:SD;Crj: CD(SD) IGS
Administration / exposure
- Route of administration:
- oral: gavage
- Type of inhalation exposure (if applicable):
- not specified
- Frequency of treatment:
- daily for 14 days prior to mating
Doses / concentrations
- Remarks:
- Doses / Concentrations:
100, 300, and 1,000 mg/kg bw/day
Basis:
actual ingested
- No. of animals per sex per dose:
- 12
Results and discussion
Results: P0 (first parental generation)
Effect levels (P0)
- Dose descriptor:
- NOAEL
- Effect level:
- 695.133 mg/kg bw/day
- Based on:
- other: not specified
- Sex:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: Generation: P;F1 (migrated information)
Target system / organ toxicity (P0)
- Critical effects observed:
- not specified
- Organ:
- not specified
Results: F2 generation
Effect levels (F2)
- Dose descriptor:
- other: not specified
- Generation:
- other: not specified
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
Target system / organ toxicity (F2)
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
Overall reproductive toxicity
- Reproductive effects observed:
- not specified
- Treatment related:
- not specified
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: NOAEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
and ("b"
and (
not "c")
)
)
and ("d"
and (
not "e")
)
)
and "f" )
and "g" )
and ("h"
and (
not "i")
)
)
and ("j"
and "k" )
)
Domain
logical expression index: "a"
Similarity
boundary:Target:
C(=O)(O)CCCCC(=O)O_C1CNCCN1
Threshold=50%,
Dice(Atom pairs)
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
AND Non binder, without OH or NH2 group by Estrogen Receptor Binding
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates OR Michael addition OR Michael
addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes
>> Polarised alkene - amides OR Michael addition >> Polarised Alkenes >>
Polarised alkene - esters OR SN2 OR SN2 >> SN2 reaction at a sulphur
atom OR SN2 >> SN2 reaction at a sulphur atom >> Thiols by Protein
binding by OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as High (Class III) AND Low (Class
I) by Toxic hazard classification by Cramer (original)
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found by rtER Expert
System ver.1 - USEPA
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Phthalates by rtER Expert System
ver.1 - USEPA
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.801
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.364
Applicant's summary and conclusion
- Conclusions:
- Based on the prediction done for piperazine adipate for two generation reproduction toxicity on rats, the esstimiated No obsered adversed effect value (NOAEL) is 695.13 mg/kg bw/day for effect on clinical signs and weight studied. Based on this value it can be concluded that piperazine adipate is not the reprotoxic substance.
- Executive summary:
Based on the prediction done for piperazine adipate for two generation reproduction toxicity on rats, the esstimiated No obsered adversed effect value (NOAEL) is 695.13 mg/kg bw/day for effect on clinical signs and weight studied. Based on this value it can be concluded that piperazine adipate is not the reprotoxic substance.
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