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EC number: 686-816-3 | CAS number: 151840-68-5
- 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
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Justification for type of information:
- 1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The source compound [Bis(1,3-dimethylcyclopentadienyl)zirconium dichloride] (CAS No. 119445-92-0) is structurally identical to the target compound [Bis(1-butyl-3-methylcyclopentadienyl)zirconium dichloride] (CAS No. 151840-68-5), with the exception of the presence of a butyl, rather than a methyl group, on the C1 position of both cyclopentadiene rings. Both substances share the same organozirconium structure, comprising of a zirconium central atom, with two cyclopentadienyl rings and two chlorine ligands. Although metabolic data is not available for both substances, they are expected to decompose to identical breakdown products.
Cross-reference
- Reason / purpose for cross-reference:
- read-across source
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 1 992
- Report date:
- 1992
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- GLP compliance:
- yes (incl. QA statement)
- Test type:
- standard acute method
- Limit test:
- no
Test material
- Reference substance name:
- Bis(1-butyl-3-methyl cyclopentadienyl)Zirconium dichloride
- EC Number:
- 686-816-3
- Cas Number:
- 151840-68-5
- Molecular formula:
- C20 H30 CL2 Zr1
- IUPAC Name:
- Bis(1-butyl-3-methyl cyclopentadienyl)Zirconium dichloride
- Test material form:
- solid
Constituent 1
Test animals
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- 5 animals/per sex were used in the study.
Administration / exposure
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Details on oral exposure:
- All animals were dosed by oral gavage.
- No. of animals per sex per dose:
- 5 animals
- Control animals:
- not specified
- Details on study design:
- No details provided.
- Statistics:
- 14-day LD50 was calculated by regression analysis.
Results and discussion
Effect levelsopen allclose all
- Key result
- Sex:
- male
- Dose descriptor:
- LD50
- Remarks:
- 14-day
- Effect level:
- ca. 177.8 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other:
- Remarks:
- Estimation of confidence limits was not possible due to the low number of animals employed and the steepness of the mortality curve.
- Sex:
- male
- Dose descriptor:
- LD50
- Remarks:
- 24-hour
- Effect level:
- > 1 000 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other:
- Remarks:
- Estimation of confidence limits was not possible due to the low number of animals employed and the steepness of the mortality curve.
- Key result
- Sex:
- female
- Dose descriptor:
- LD50
- Remarks:
- 14-day
- Effect level:
- ca. 145.8 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other:
- Remarks:
- Estimation of confidence limits was not possible due to the low number of animals employed and the steepness of the mortality curve.
- Sex:
- female
- Dose descriptor:
- LD50
- Remarks:
- 24-hour
- Effect level:
- > 1 000 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other:
- Remarks:
- Estimation of confidence limits was not possible due to the low number of animals employed and the steepness of the mortality curve.
- Mortality:
- Lowest lethal dose: 147.0 mg/kg b.w. p.o. for females and 215.0 mg/kg b.w. p.o. for males. Animals died between 5 hours and 8 days after dosing, where observed in abdominal position with clonic convulsions. All animals with toxic signs died. The no-effect-level was 100 mg/kg bw.
- Clinical signs:
- other: Reduced motility, ataxia and dyspnea was first observed in males at 215 mg/kg bw and for females at 147 mg/kg bw (including death). Ptosis and muscular hypotonia was observed from 316 mg/kg bw onwards.
- Gross pathology:
- There were no pathological findings in the autopsies of deceased and surviving animals.
Applicant's summary and conclusion
- Interpretation of results:
- Category 3 based on GHS criteria
- Conclusions:
- 14-day oral LD50 values for males and females were determined by regression method. LD50 values were 177.8 mg/kg bw and 145.8 mg/kg bw in males and females, respectively. According to these data, Bis(1,3-dimethylcyclopentadieny)zirconium dichloride is considered classified as an acute oral toxicant, category 3, based on the UN GHS criteria.
- Executive summary:
The aim of this experiment was to establish the acute toxic symptoms and in case of mortality, the cause of death of Bis (1,3-dimethylcyclopentadienyl) zirconiumm dichloride after a single oral administration to rats. The LD50 (14 d) was calculated as 177.8 mg/kg b.w. for males and 145.8 mg/kg b.w. for females, by oral administration.
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