1,1''-isopropylidenediferrocene

Endpoint summary

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

Reference

Reference 1

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.

Reference 2

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.

Endpoint conclusion

Endpoint conclusion:

adverse effect observed

Dose descriptor:

LD50

Value:

1 320 mg/kg bw