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EC number: 269-084-6 | CAS number: 68187-29-1
Toxicity to reproduction
Administrative data
- Endpoint:
- reproductive toxicity, other
- Remarks:
- Not specified
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The following prediction was performed using the OECD QSAR Toolbox. A category was formed based on the current endpoint (DART scheme). The prediction was further refined from a large database of metadata based on relevant subcategories.
- Justification for type of information:
- The test material is a mixture of many substances. Comparison of all substances has shown that they are expected to have the same reprotoxicity. For the purpose of addressing the reprotoxicity endpoint the most concentrated component of the test material was assessed individually.
Cross-reference
- Reason / purpose for cross-reference:
- other: read-across target
Reference
- Endpoint:
- reproductive toxicity, other
- Remarks:
- Not specified
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- For the justification for read-across, please refer to the read-across assessment framework report that is attached to Section 13.
- Reason / purpose for cross-reference:
- read-across source
- Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Route of administration:
- not specified
- Dose descriptor:
- NOEL
- Effect level:
- 440 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: Based on the modelled conditions.
- Remarks on result:
- not measured/tested
- Remarks:
- The prediction was based on the average value from the 10 nearest neighbours compared by prediction descriptors.
- Critical effects observed:
- not specified
- Dose descriptor:
- NOEL
- Effect level:
- 440 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: Based on the modelled conditions
- Remarks on result:
- not measured/tested
- Remarks:
- The prediction was based on the average value from the 10 nearest neighbours compared by prediction descriptors.
- Critical effects observed:
- not specified
- Reproductive effects observed:
- no
- Conclusions:
- Based on the modelled conditions, the reprotoxicity NOEL of the test material in the rat was determined to be ca. 440 mg/kg bw/day.
- Executive summary:
The reprotoxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using the Organic functional group, and the results were refined using relevant subcategories (DART scheme, estrogen receptor binding, chemical elements).
The target chemical is within the applicability domain.
Based on the modelled conditions, the reprotoxicity NOEL of the test material in the rat was determined to be ca. 440 mg/kg bw/day.
Data source
Reference
- Reference Type:
- other: QSAR Prediction
- Title:
- QSAR Toolbox prediction for single chemical
- Author:
- Anon.
- Year:
- 2 018
- Bibliographic source:
- OECD QSAR Toolbox 4.2
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6, May/July 2008
- GLP compliance:
- no
- Remarks:
- As no laboratory work took place, compliance with GLP is not required.
Test material
- Reference substance name:
- L-Glutamic acid, N-coco acyl derivs., compds. with triethanolamine (1:1)
- EC Number:
- 269-084-6
- EC Name:
- L-Glutamic acid, N-coco acyl derivs., compds. with triethanolamine (1:1)
- Cas Number:
- 68187-29-1
- Molecular formula:
- Not specified (UVCB substance)
- IUPAC Name:
- bis(tris(2-hydroxyethyl)azanium) (2S)-4-carboxy-2-dodecanamidobutanoate (2S)-4-carboxy-2-tetradecanamidobutanoate
- Test material form:
- solid
Constituent 1
- Specific details on test material used for the study:
- SMILES: OCC[N+H](CCO)CCO.CCCCCCCC(=O)NC(CCC(O)=O)C([O-])=O
Test animals
- Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
Administration / exposure
- Route of administration:
- not specified
Results and discussion
Results: P0 (first parental generation)
Effect levels (P0)
- Dose descriptor:
- NOEL
- Effect level:
- 440 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: Based on the modelled conditions.
- Remarks on result:
- not measured/tested
- Remarks:
- The prediction was based on the average value from the 10 nearest neighbours compared by prediction descriptors.
Target system / organ toxicity (P0)
- Critical effects observed:
- not specified
Results: F1 generation
Effect levels (F1)
- Dose descriptor:
- NOEL
- Effect level:
- 440 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: Based on the modelled conditions
- Remarks on result:
- not measured/tested
- Remarks:
- The prediction was based on the average value from the 10 nearest neighbours compared by prediction descriptors.
Target system / organ toxicity (F1)
- Critical effects observed:
- not specified
Overall reproductive toxicity
- Reproductive effects observed:
- no
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: NOEL
Estimation method: Takes average value from the 10 nearest neighbours
Domain logical expression: Result: Inside of applicability domain
Substances used for the prediction should be:
Alcohol<OR>Ammonium salt<OR>Carboxylic acid<OR>Organic amide and thioamide (Organic functional groups)
Non binder, non cyclic structure (Estrogen Receptor Binding)
Group 14 - Carbon C; Group 15 - Nitrogen N; Group 16 - Oxygen O (Chemical elements)
Applicant's summary and conclusion
- Conclusions:
- Based on the modelled conditions, the Reprotoxicity NOEL of the test material in the rat was determined to be ca. 440 mg/kg bw/day.
- Executive summary:
The reprotoxicity of the test material was evaluated using a read-across approach. Suitable analogues were found in the OECD QSAR Toolbox using the Organic functional group, and the results were refined using relevant subcategories (DART scheme, estrogen receptor binding, chemical elements).
The target chemical is within the applicability domain.
Based on the modelled conditions, the reprotoxicity NOEL of the test material in the rat was determined to be ca. 440 mg/kg bw/day.
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