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EC number: 606-444-7 | CAS number: 20150-34-9
- 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:
- 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 pred
ictions 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
II. Analogue (source compound) search based on selected criteria:
a. analogue has the same structural features as the target compound according to:
i. Groups of elements profiler
ii. Chemical elements profiler
iii. Lipinski Rule Oasis profiler
b. analogue has the same alerts according to profiles:
i. Estrogen Binding Receptor
ii. OECD HPV Chemical Categories
iii. Substance type
III. Data collection for the analogues (OECD Toolbox database).
IV. Toxicity prediction for the target substance
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 the similarity according to the co
nsidered structural profilers (Group of elements profiler, Chemical of elements profiler,
Lipinski Rule Oasis profiler) expressed in 47,1% structural similarity, as well as consistent alerts
according to Estrogen Binding Receptor, OECD HPV Chemical Categories and
Substance type profilers. Based on the assumed analogue search criteria, one source compound has
been found: CoSO4.
The screening reproductive toxicity for the source compound was performed according to:
Test guideline: OECD 422
Endpoint: NOAEL
Test organism: rat
The read-across prediction of the screening reproductive toxicity for the target substance was
performed based on the approach one to one.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
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 consistencs of the group of source componnds (called categoris in OECD Toolbol
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 reproductive toxicity of the iron (II) glycine sulphate
(VI) trihydrate, the read-across hypothesis considers that the target compound and the
source compounds exhibit similar toxicity effects due to the structural similarity. This readacross is
based on the fact that the target and the source compound are similar in terms of their
physicochemical, (eco)toxicological and fate properties. The test organism is exposed to compound,
which has the same structural features as the target compound according to
profilers: Groups of elements (Transition metalsNon-metals), Chemical elements (Group 16
Oxygen OGroup 16 Sulfur S) and Lipinski Rule Oasis (Bioavailable).
Structural similarity between the target and source compound is equal of [47.1%]. Both category
members exhibit consistent results according to Estrogen Binding Receptor, OECD
HPV Chemical Categories and Substance type profilers.
Besides, the category consistencies, the boundaries of the applicability domain are verified by the
critical value of the bioconcentration factor (BCF). In case of Fe(Gly)SO4x3H2O the BCF
is in the range of descriptor.
Test material
- Reference substance name:
- bis(λ⁴-iron(2+)) tetrakis(2-aminoacetate)
- EC Number:
- 606-444-7
- Cas Number:
- 20150-34-9
- Molecular formula:
- C4H8FeN2O4
- IUPAC Name:
- bis(λ⁴-iron(2+)) tetrakis(2-aminoacetate)
- Test material form:
- solid
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:
- NOAEL
- Effect level:
- ca. 0.5 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 NOAEL= 0,5 mg/kg bdtwt/d)
- Executive summary:
The prediction for the target compound is based on the structural similarity of category members.
The category members have the same toxicological properties due to common underlying mechanism after administration because of their high structural similarity. Both category members have the same structural features according to profilers: Groups of elements (Transition metals<AND>Non-metals),
Chemical elements (Group 16 - Oxygen O<AND>Group 16 - Sulfur S) and Lipinski Rule Oasis (Bioavailable). The toxicity prediction was performed based on the experimental data included in the OECD QSAR Toolbox.
Experimental data gathered for source substance was obtained with recommended OECD Guideline 422 and are considered as reliable without restriction.
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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