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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
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Diss Factsheets
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EC number: 941-489-9 | CAS number: -
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
Toxicity to reproduction: other studies
Administrative data
- Endpoint:
- toxicity to reproduction: other studies
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: US EPA Toxicity Estimation Software Tool (TEST) v.4.1, accepted QSAR method for organic chemicals properties assessment.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- The Toxicity Estimation Software Tool (T.E.S.T.).
- Author:
- YOUNG, D. M.
- Year:
- 2 010
- Bibliographic source:
- Presented at New England Green Chemistry Networking Forum , Boston, MA, December 16, 2010.
- Reference Type:
- publication
- Title:
- Evaluation of different statistical approaches for the validation of quantitative structure-activity relationships.
- Author:
- Gramatica, P., and Pilutti, P.
- Year:
- 2 004
- Bibliographic source:
- Ispra, Italy: The European Commission - Joint Research Centre, Institute for Health & Consumer Protection - ECVAM.
Materials and methods
- Principles of method if other than guideline:
- QSAR approach
- GLP compliance:
- not specified
- Remarks:
- not applicable to QSAR models
- Type of method:
- other: QSAR
Test material
- Reference substance name:
- 9β,11β-epoxy-6α-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
- EC Number:
- 941-489-9
- Molecular formula:
- C23 H27 F O6
- IUPAC Name:
- 9β,11β-epoxy-6α-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
Constituent 1
Results and discussion
Observed effects
Any other information on results incl. tables
Developmental toxicity includes any effect interfering with normal development, both before and after birth. A dataset of 293 chemicals was created by Arena and Coworkers (Arena et al. 2004; Sussman et al. 2003) by combining data from the Teratogen Information System (TERIS) (Briggs et al. 1990) and the FDA guidelines (Shepard 1992). The developmental toxicity values were taken from the revised binary toxicity values developed for the CAESAR project (CAESAR 2009). The final dataset consists of 285 chemicals (after removing salts, mixtures, and ambiguous compounds).
The predicted value is estimated by taking an average of the predicted values from the following QSAR methods (provided the predictions are within the respective applicability domains):
- Hierarchical method (The toxicity for a given query compound is estimated using the weighted average of the predictions from several different cluster models).
- Single model (The model is generated using techniques and constraints similar to those for the hierarchical method (except that the training cluster contains the entire training set).
- FDA method (The prediction for each test chemical is made using a new model that is fit to the chemicals that are most similar to the test compound. Each model is generated at runtime).
- Nearest neighbor method (The predicted toxicity is estimated by taking an average of the 3 chemicals in the training set that are most similar to the test chemical).
Statistical External Validation
The prediction results for the Ames mutagenicity were as follows:
Method | Concordance | Sensitivity | Specificity | Coverage |
Hierarchical | 0.724 | 0.829 | 0.471 | 1.000 |
Single Model | 0.732 | 0.850 | 0.438 | 0.966 |
FDA | 0.724 | 0.780 | 0.588 | 1.000 |
Nearest neighbor | 0.759 | 0.844 | 0.667 | 0.759 |
Consensus | 0.793 | 0.902 | 0.529 | 1.000 |
Applicant's summary and conclusion
- Conclusions:
- Substance has been predicted as developmental toxicant by T.E.S.T.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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