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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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:
1992
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

Constituent 1
Chemical structure
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

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.