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EC number: 235-719-0 | CAS number: 12609-95-9
- 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
Endpoint summary
Administrative data
Description of key information
Two studies are presented on structurally related substances as valid read across candidates: 1,1'-Bis(ferrocenyl)octane, CAS Number 501410-94-2, EC Number 479-710-1 (OECD 423) and Iron(2+) dicyclopenta-2,4-dienide (Ferrocene), CAS Number 102-54-5, EC Number 203-039-3 (equivalent or similar to OECD 401).
In an OECD 423 study, 1,1'-Bis(ferrocenyl)octane, has an LD50 of > 2000 mg/kg/bw. The LD0 therefore is 2000 mg/kg/bw.
In the case of iron (2 +) dicyclopenta-2,4 -dienide (ferrocene), CAS Number 102 -54 -5, EC Number 203 -039 -3, the acute oral toxicity was investigated in a study which was equivalent or similar to guideline OECD 401 and published in Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. [2001]., p. V2 42; Peer Reviewed; authors Bingham, E.; Cohrssen, B.; Powell, C.H.
In this study, ferrocene is reported to have an LD50 of 1320 mg/kg/bw.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 423 (Acute Oral toxicity - Acute Toxic Class Method)
- GLP compliance:
- yes (incl. QA statement)
- Test type:
- acute toxic class method
- Limit test:
- yes
- Specific details on test material used for the study:
- Read across data is presented from the structurally related substance, 1,1'-Bis(ferrocenyl)octane, CAS Number 501410-94-2, EC Number 479-710-1. This substance bears a close similarity to 1,1''-isopropylidenediferrocene, CAS Number 12609-95-9, EC Number 235-719-0, the distinction being that the alkyl bridging functionality between the two ferrocene moieties is an octyl derivative as opposed to an isopropyl derivative.
- Species:
- rat
- Strain:
- Wistar
- Sex:
- female
- Route of administration:
- oral: gavage
- Vehicle:
- other: Sunflower Oil
- Doses:
- 2000 mg/kg/bw
- No. of animals per sex per dose:
- 6, two groups of 3 females.
- Key result
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Key result
- Sex:
- female
- Dose descriptor:
- LD0
- Effect level:
- 2 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- Female: 2000 mg/kg bw; Number of animals: 6; Number of deaths: 0
- Clinical signs:
- Signs of toxicity related to dose levels: Clinical signs noted at 2000 mg/kg dose level were: slight or moderate activity decrease, hunchback posture, piloerection and respiration rate increase. These signs disappeared within 2 days after administration of the test item.
- Gross pathology:
- Effects on organs: No effects on mean body weight and body weight development were noted. Specific macroscopic alterations linked to the toxic effect of the test item 1,1'-Bis(ferrocenyl)octan have not been observed.
- Interpretation of results:
- Category 5 based on GHS criteria
- Conclusions:
- According to OECD 423, 1,1'-Bis(ferrocenyl)octan has an acute oral LD50 >2000mg/L. This was the dose limit in the experiment and therefore is also the LD0.
- Executive summary:
The acute oral toxicity of 1,1'-Bis(ferrocenyl)octane, CAS Number 501410-94-2, EC Number 479-710-1was investigated in accordance with the standardised guideline OECD 423.
An OECD 423 study conducted to GLP in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results was performed on 1,1'-Bis(ferrocenyl)octane, CAS Number 501410-94-2, EC Number 479-710-1.
The study was assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
This substance is considered to be sufficiently close in structural integrity to 1,1''-isopropylidenediferrocene, CAS Number 12609-95-9, EC Number 235-719-0 so as to justify valid read across.
Under the conditions of the study 1,1'-Bis(ferrocenyl)octan has an acute oral LD50 >2000mg/L. This was the dose limit in the experiment and therefore is also the LD0.
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- GLP compliance:
- not specified
- Test type:
- acute toxic class method
- Specific details on test material used for the study:
- Read across data is presented from the structurally related substance, iron(2+) dicyclopenta-2,4-dienide (ferrocene), CAS Number 102-54-5, EC Number 203-039-3. This substance bears a close similarity to 1,1''-isopropylidenediferrocene, CAS Number 12609-95-9, EC Number 235-719-0. Therefore, it is considered that read-across is valid.
- Key result
- Dose descriptor:
- LD50
- Effect level:
- 1 320 mg/kg bw
- Interpretation of results:
- Category 4 based on GHS criteria
- Conclusions:
- In a peer reviewed study (published in Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. [2001]., p. V2 42; Peer Reviewed) performed equivalent or similar to OECD Guideline 401, ferrocene has an oral LD50 of 1320mg/kg bw.
- Executive summary:
The acute toxicity of iron(2+) dicyclopenta-2,4-dienide (ferrocene), CAS Number 102-54-5, EC Number 203-039-3 was investigated in a study which was equivalent or similar to guideline OECD 401 and published in Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. [2001]., p. V2 42; Peer Reviewed; authors Bingham, E.; Cohrssen, B.; Powell, C.H.
The study was assigned a reliability score of 2 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
This substance is considered to be sufficiently close in structural integrity to 1,1''-isopropylidenediferrocene, CAS Number 12609-95-9, EC Number 235-719-0 so as to justify valid read across.
In this study, ferrocene is reported to have an LD50 of 1320 mg/kg/bw.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 1 320 mg/kg bw
Additional information
Justification for classification or non-classification
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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