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Diss Factsheets

Toxicological information

Developmental toxicity / teratogenicity

Currently viewing:

Administrative data

Endpoint:
developmental toxicity
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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]: 366 mg/kg bw/day "Human Health Hazards#Developmental Toxicity / Teratogenicity" for 142-88-1
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR toolbox version 3.0

Materials and methods

Test guideline
Guideline:
other: OECD gideline 415:one- or two- (or multi-) generation studies;OECD TG 422;OECD Guideline 414 (Prenatal Developmental Toxicity Study)
Principles of method if other than guideline:
QSAR prediction is done using the QSAR toolbox version 3.0
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
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

Test animals

Species:
other: rat;rabbit
Strain:
other: CD-1;Slc:SD;Charles River CD rats;New Zealand White

Administration / exposure

Route of administration:
oral: gavage
Type of inhalation exposure (if applicable):
not specified
Vehicle:
water
Duration of treatment / exposure:
day 6 to day 20
Frequency of treatment:
daily
Doses / concentrations
Remarks:
Doses / Concentrations:

Basis:
nominal in diet

Results and discussion

Results: maternal animals

Effect levels (maternal animals)

Dose descriptor:
NOAEL
Effect level:
366 mg/kg bw/day
Based on:
test mat.
Basis for effect level:
other: developmental toxicity
Remarks on result:
other: not specified

Maternal abnormalities

Abnormalities:
not specified
Localisation:
not specified
Description (incidence and severity):
not specified

Results (fetuses)

Effect levels (fetuses)

Dose descriptor:
other: not specified
Based on:
not specified
Sex:
not specified
Basis for effect level:
other: not specified
Remarks on result:
other: not specified

Fetal abnormalities

Abnormalities:
not specified
Localisation:
other: not specified
Description (incidence and severity):
not specified

Overall developmental toxicity

Developmental 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 "i" ) )

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 Moderate binder, NH2 group OR Weak binder, 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 >> Acid imides OR Michael addition >> Acid imides >> Acid imides-MA OR Michael addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene - esters OR Schiff Base Formers OR Schiff Base Formers >> Direct Acting Schiff Base Formers OR Schiff Base Formers >> Direct Acting Schiff Base Formers >> Mono-carbonyls OR SNAr OR SNAr >> Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic substitution >> Activated halo-benzenes 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"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.482

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.19

Applicant's summary and conclusion

Conclusions:
Based on the prediction done forpiperazine adipate for developmental toxicity on rats, the esstimiated No obsered adverse effect value (NOAEL) is 366 mg/kg bw/day for effect on body weight and Maternal Preg Loss. Based on this value it can be concluded thatpiperazine adipate is not the toxic substance for above dose.
Executive summary:

Based on the prediction done forpiperazine adipate for developmental toxicity on rats, the esstimiated No obsered adverse effect value (NOAEL) is 366 mg/kg bw/day for effect on body weight and Maternal Preg Loss. Based on this value it can be concluded thatpiperazine adipate is not the toxic substance for above dose.