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EC number: 252-809-5 | CAS number: 35947-07-0
- 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
Toxicity to reproduction
Administrative data
- Endpoint:
- screening for reproductive / developmental toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2020
- Reliability:
- 1 (reliable without restriction)
- Justification for type of information:
- Screening reproductive toxicity describes the effect of a test chemical on male or female reproductive performers.
The aim was to estimate the screening reproductive toxicity of target substance.
2.7.1 Estimation of the biological activity (screening reproductive toxicity)
The computational simulation was performed based on the read-across approach. The readacross is one of the so-called alternative test methods recommended by REACH, where the predictions are based on the experimental data available for the most similar compounds. The predictions were performed according to the Read-Across Assessment Framework (RAAF),
which assumes six different risk assessment scenarios of chemical compounds.
Applied tool:
The OECD QSAR Toolbox, version 4.4
Procedure of analysis:
I. Profiling of the target substance in order to retrieve relevant information related to mechanism of action and observed or simulated metabolites (Appendix 1.7B).
II. Analogue (source compound) search based on selected criteria:
a. analogue dissociates similarly like the target compound (dissociation simulator)
b. analogue has the same structural features as the target compound according to:
i. Groups of elements
ii. Chemical elements profiler (subcategorization)
III. Data collection for the analogues (OECD Toolbox database/ECHA CHEM).
IV. Toxicity prediction for the target substance based on the worst-case scenario
V. Category consistency check in order to assess the quality of the prediction
Applied scenario:
Scenario 2
Toxicity prediction for the target substance:
This read-across is based on the fact that the target and the source compounds are similar in terms of their physicochemical, (eco)toxicological and fate properties. The target compound and the source compounds exhibit similar toxicity effects due to their structural similarity.
The target substance is an organometallic compound containing calcium (Ca) centres, glycine (Gly) ligands. The metallic centres of the substance are linked by oxygen coordination bonds of the Gly ligands. The target compound and the source compounds exhibit similar toxicity effects due to the structural similarity. The prediction was performed basing on the source compound, which was found similar with the target compound due to similarities within the groups of elements (non-metals and alkaline earth groups) as well as chemical elements of their structures. The overall structural similarity to the target compound is in range of [50-60%].
Calcium carbonate is used as the source compound to predict the screening reproductive
toxicity.
The screening reproductive toxicity for the source compound was performed according to:
Test guideline: OECD 422
Endpoint: NOEL
Test organism: rat
The read-across prediction of the acute inhalation toxicity the target substance was performed based on the "one to one" approach. Compound used as source compound for prediction is presented in Table 5.
Table 5 Source compounds for the screening reproductive toxicity
No. CAS Name NOEL Test guideline
1. 471-34-1 calcium carbonate 1000 mg/kg bdwt/d OECD 422
Data source
Reference
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 422 (Combined Repeated Dose Toxicity Study with the Reproduction / Developmental Toxicity Screening Test)
- Principles of method if other than guideline:
- In order to meet regulatory needs, reliability of the predicted results should be assessed. In case of classic quantitative structure-activity relationships (QSAR) modelling, this idea can be realised by analysing, whether the predicted value is located within so-called applicability domain. The applicability domain is a theoretical region, defined by the range of toxicity values and structural descriptors for the training compounds, where the predictions may be considered
as realistic ones. In a specific case of read-across, the assessment is performed based on the assessment of degree of similarity between the source and target compounds (in %). Moreover, the internal consistency of the group of source compounds (called "category" in OECD Toolbox nomenclature, independently which approach: analogue approach or category approach is used). The category consistency check could be based on the parameters describing the
structural similarity and/or properties as well as mechanistic similarity of the tested compounds.
For example, all members of the category (analogues as well as target substance) need to have the same functional groups and endpoint specific alerts. In the case of read-across-based prediction of the screening reproductive toxicity of the calcium glycine (1:2) monohydrate, the read-across hypothesis considers that source and target compounds are similar in terms of their physicochemical, (eco)toxicological and fate properties.
The prediction for the target compound is based on the structural similarity of category members. All category members have the same structural features according to the structure similarity profilers: Groups of elements (Non-MetalsAlkaline Earth) and Chemical elements (Group 16 - Oxygen O Group 14 - Carbon C Group 15 - Nitrogen
NGroup 2- Alkaline Earth Be,Mg,Ca,Sr,Ba,Ra). The target compound and the source compounds exhibit similar toxicity effects due to their structural similarity. Additionally, all category members exhibit similar values of selected calculated physicochemical parameters.
Moreover, the category consistencies, the boundaries of the applicability domain are verified by the value of the bioconcentration factor (BCF). In case of calcium glycine (1:2) monohydrate, the BCF is in the range of descriptor (the same value). The structural similarity between the source (calcium carbonate) and target (calcium glycine (1:2) monohydrate) is 50% .
Test material
- Reference substance name:
- Calcium glycinate (1:2)
- EC Number:
- 252-809-5
- EC Name:
- Calcium glycinate (1:2)
- Cas Number:
- 35947-07-0
- Molecular formula:
- (C4H10N2O5Ca)n)
- IUPAC Name:
- catena (q3-glycinato-(q2-glycinato)-aqua-calcium)
- Test material form:
- solid: crystalline
Constituent 1
Results and discussion
Results: P0 (first parental generation)
General toxicity (P0)
- Clinical signs:
- no effects observed
- Dermal irritation (if dermal study):
- no effects observed
- Mortality:
- no mortality observed
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- no effects observed
- Food efficiency:
- no effects observed
- Water consumption and compound intake (if drinking water study):
- no effects observed
- Ophthalmological findings:
- no effects observed
- Haematological findings:
- no effects observed
- Clinical biochemistry findings:
- no effects observed
- Urinalysis findings:
- no effects observed
- Behaviour (functional findings):
- no effects observed
- Immunological findings:
- no effects observed
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Histopathological findings: non-neoplastic:
- no effects observed
- Histopathological findings: neoplastic:
- no effects observed
- Other effects:
- no effects observed
Reproductive function / performance (P0)
- Reproductive function: oestrous cycle:
- no effects observed
- Reproductive function: sperm measures:
- no effects observed
- Reproductive performance:
- no effects observed
Details on results (P0)
Effect levels (P0)
- Dose descriptor:
- NOEL
- Effect level:
- ca. 1 000 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- male/female
- Remarks on result:
- other: see remarks
Results: F1 generation
General toxicity (F1)
- Clinical signs:
- no effects observed
- Dermal irritation (if dermal study):
- no effects observed
- Mortality / viability:
- no mortality observed
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- no effects observed
- Food efficiency:
- no effects observed
- Water consumption and compound intake (if drinking water study):
- no effects observed
- Ophthalmological findings:
- no effects observed
- Haematological findings:
- no effects observed
- Clinical biochemistry findings:
- no effects observed
- Urinalysis findings:
- no effects observed
- Sexual maturation:
- no effects observed
- Anogenital distance (AGD):
- no effects observed
- Nipple retention in male pups:
- no effects observed
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Gross pathological findings:
- no effects observed
- Histopathological findings:
- no effects observed
- Other effects:
- no effects observed
Developmental neurotoxicity (F1)
- Behaviour (functional findings):
- no effects observed
Developmental immunotoxicity (F1)
- Developmental immunotoxicity:
- no effects observed
Details on results (F1)
Effect levels (F1)
- Remarks on result:
- not determinable due to absence of adverse toxic effects
Overall reproductive toxicity
- Reproductive effects observed:
- no
Applicant's summary and conclusion
- Conclusions:
- no classified (The screening reproductive toxicity for the target substance is predicted at level NOEL = 1000 mg/kg bdtwt/d)
- Executive summary:
The source and the target compound have similar toxicological properties due to common underlying mechanism after administration because of their high structural similarity. The prediction for the target compound in based on the "one-to-one" approach. The target compound (calcium carbonate) has the same structural features as source compound according to similarities within the groups of elements well as chemical elements of their structures. The overall structural similarity of the source compound to the target is 50%. Additionally, within
the repeated dose category of endpoints, the source compound toxicity has been identified to be similar (>1000mg/kg bdwt/d) for the 90-day oral toxicity test (OECD 408). The toxicity prediction was performed based on the experimental data included in the OECD QSAR Toolbox. Experimental data gathered for source substance were obtained with recommended OECD Guideline 422 and are considered as reliable without restriction and are characterized by a value of 1000mg/kg bdwt/d.
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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