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EC number: 205-569-0 | CAS number: 142-88-1
Repeated dose toxicity: inhalation
Administrative data
- Endpoint:
- short-term repeated dose toxicity: inhalation
- 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:
- 152 mg/kg/day "Human Health Hazards#Repeated Dose Toxicity" 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
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- 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;F344;Wistar;CD
- Sex:
- male/female
Administration / exposure
- Route of administration:
- inhalation: vapour
- Type of inhalation exposure:
- not specified
- Vehicle:
- not specified
- Duration of treatment / exposure:
- 28 days
- Frequency of treatment:
- 6 hours/day and 5 days/week
Doses / concentrations
- Remarks:
- Doses / Concentrations:
0.00, 3.10, 9.90, 30.00, 98.00
Basis:
nominal conc.
Results and discussion
Effect levels
- Dose descriptor:
- LOEL
- Effect level:
- 152.49 other: mg/kg/day
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: Decrease in body weight
Target system / organ toxicity
- Critical effects observed:
- not specified
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: "effect LOEL"
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 "e" ) and ("f" and "g" ) )
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 No alert found by Protein binding by OECD
Domain logical expression index: "c"
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 Acylation >> Isocyanates and Related Chemicals OR Acylation >> Isocyanates and Related Chemicals >> Isocyanates OR Michael addition OR Michael addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene - esters OR SN2 OR SN2 >> Epoxides and Related Chemicals OR SN2 >> Epoxides and Related Chemicals >> Epoxides OR SN2 >> SN2 reaction at a sulphur atom OR SN2 >> SN2 reaction at a sulphur atom >> Thiols OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> alpha-Halocarbonyls by Protein binding by OECD
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No superfragment by Superfragments
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as High (Class III) AND Low (Class I) by Toxic hazard classification by Cramer (with extensions)
Domain logical expression index: "f"
Parametric boundary:The target chemical should have a value of log Kow which is >= -0.484
Domain logical expression index: "g"
Parametric boundary:The target chemical should have a value of log Kow which is <= 1.81
Applicant's summary and conclusion
- Conclusions:
- Based on the prediction done for piperazine adipate for repeated dose via inhalation route for subacute value on rat, the estimated lowest observed effect level (LOEL) is 152.49 mg/kg bw/day for body weight decrease effect. Based on this value it can be conclued that piperazine adipate is not toxic via inhalation route for the above mentioned dose.
- Executive summary:
Based on the prediction done for piperazine adipate for repeated dose via inhalation route for subacute value on rat, the estimated lowest observed effect level (LOEL) is 152.49 mg/kg bw/day for body weight decrease effect. Based on this value it can be conclued that piperazine adipate is not toxic via inhalation route for the above mentioned dose.
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