Registration Dossier
Registration Dossier
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EC number: 940-822-5 | CAS number: -
Developmental toxicity / teratogenicity
Administrative data
- Endpoint:
- developmental toxicity
- Remarks:
- Developmental Toxicity model (CAESAR) 2.1.7
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2017
- 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 adequate and reliable documentation / justification
Data source
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Developmental Toxicity model (CAESAR) 2.1.7
- Version / remarks:
- 2.1.7
- Deviations:
- not applicable
- Principles of method if other than guideline:
- The model implements a virtual library of toxicant compounds. The CAESAR QSAR model has been developed with the aim to minimize false negatives in order to make them more usable for REACH.
Test material
- Reference substance name:
- Butyl 10-oxooctadecanoate
- Molecular formula:
- C22H42O3
- IUPAC Name:
- Butyl 10-oxooctadecanoate
- Test material form:
- liquid: viscous
Constituent 1
Results and discussion
Any other information on results incl. tables
Compound SMILES: O=C(OCCCC)CCCCCCCCC(=O)CCCCCCCC
Experimental value: -
Predicted developmental toxicity activity: NON-Toxicant
Reliability: the predicted compound is into the Applicability Domain of the model
Remarks: none
Global AD Index
AD index = 0.912
Explanation: the predicted compound is into the Applicability Domain of the model.
Similar molecules with known experimental value
Similarity index = 0.831
Explanation: strongly similar compounds with known experimental value in the training set have been found.
Accuracy of prediction for similar molecules
Accuracy index = 1
Explanation: accuracy of prediction for similar molecules found in the training set is good.
Applicant's summary and conclusion
- Conclusions:
- This constituent (the most present in terms of percentage) resulted non toxicant
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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