1,1''-isopropylidenediferrocene

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

key study

Study period:

May 2004 to July 2004

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

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.

Vehicle:

yes

Details on test solutions:

Identity and concentration of auxiliary solvent for dispersal: 100 mg/L acetone.

Test organisms (species):

Daphnia magna

Details on test organisms:

The Daphnia were bred in the laboratories of LAB International, Hungary under similar temperature and light conditions as in the test, and in reconstituted water of similar quality regarding pH, components of the main ions and total hardness of the test water used in the test. The age of the Daphnia at the start of the test were 6.7 - 21.7 hours old.

Test type:

semi-static

Water media type:

freshwater

Limit test:

yes

Total exposure duration:

48 h

Hardness:

The hardness (CaCO3) of the water was : 168.4 mg/L.

Test temperature:

18 - 22 degrees C

pH:

7.93 - 7.97

Dissolved oxygen:

> 92%

Key result

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

> 0.36 mg/L

Nominal / measured:

meas. (initial)

Conc. based on:

test mat.

Basis for effect:

mobility

Key result

Duration:

48 h

Dose descriptor:

NOEC

Effect conc.:

0.36 mg/L

Nominal / measured:

meas. (initial)

Conc. based on:

test mat.

Basis for effect:

mobility

Conclusions:

In an OECD 202 study, 1,1'-Bis(ferrocenyl)octane, CAS Number 501410-94-2, EC Number 479-710-1 has an 48 hour EC50 of > 0.36mg/L (measured) to Daphnia Magna. The NOEC was 0.36mg/L. The nominal value added to the water of 0.5mg/L is 10x the water solubility of the substance.

Executive summary:

The short-term toxicity to aquatic invertebrates of 1,1'-Bis(ferrocenyl)octane, CAS Number 501410-94-2, EC Number 479-710-1was investigated in accordance with the standardised guideline OECD 202.

An OECD 202 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 the EC50 was determined to be > 0.36 mg/L and the NOEC was 0.36 mg/L.

Reference 2

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1988

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)

Deviations:

yes

Remarks:

Study duration was only 24 hours

GLP compliance:

not specified

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.

Analytical monitoring:

yes

Test organisms (species):

Daphnia magna

Test type:

static

Water media type:

freshwater

Total exposure duration:

24 h

Key result

Duration:

24 h

Dose descriptor:

EC50

Effect conc.:

ca. 2.5 mg/L

Nominal / measured:

nominal

Basis for effect:

mobility

Remarks on result:

other: Technical product, undiluted

Key result

Duration:

24 h

Dose descriptor:

EC50

Effect conc.:

ca. 4 mg/L

Nominal / measured:

nominal

Basis for effect:

mobility

Remarks on result:

other: Technical Product, diluted in Acetone

Key result

Duration:

24 h

Dose descriptor:

EC50

Effect conc.:

ca. 1.5 mg/L

Nominal / measured:

nominal

Basis for effect:

mobility

Remarks on result:

other: Sublimed and uncrystallised product, diluted in acetone

Key result

Duration:

24 h

Dose descriptor:

NOEC

Effect conc.:

ca. 0.2 mg/L

Nominal / measured:

nominal

Basis for effect:

mobility

Remarks on result:

other: Technical product, dilued in Acetone

Key result

Duration:

24 h

Dose descriptor:

NOEC

Effect conc.:

ca. 0.5 mg/L

Nominal / measured:

nominal

Basis for effect:

mobility

Remarks on result:

other: Sublimed and uncrystallised product, diluted in Acetone

Validity criteria fulfilled:

yes

Conclusions:

3 forms of ferrocene were tested in a study performed that was similar to OECD Guideline 202. Between the 3 different forms, EC50 values showed no hugely significant differences. Technical grade product diluted in Acetone gave EC50 24hr = 4 mg/l, sublimed and uncrystallised products both diluted in acetone gave EC50 24hr = 1.5 mg/l. They show however, that in acute tests daphnia magna are somewhat more sensitive to ferrocene than fish. For a CSA value as this study was only performed for 24 hours, the EC50 values have been decreased by 50% to allow for 48 hour exposure. Therefore technical grade product diluted in Acetone has an EC50 48hr = 2 mg/l with sublimed and uncrystallised products both diluted in acetone, having EC50 48 hr = 0.75 mg/l. Value used in CSA is EC50 (48hr) = 1.17 mg/l.

Executive summary:

The short-term toxicity to aquatic invertebrates 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 202.

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.

3 forms of ferrocene were tested in a study performed that was similar to OECD Guideline 202. Between the 3 different forms, EC50 values showed no hugely significant differences. Technical grade product diluted in Acetone gave EC50 24hr = 4 mg/l, sublimed and uncrystallised products both diluted in acetone gave EC50 24hr = 1.5 mg/l. They show however, that in acute tests daphnia magna are somewhat more sensitive to ferrocene than fish. For a CSA value as this study was only performed for 24 hours, the EC50 values have been decreased by 50% to allow for 48 hour exposure. Therefore technical grade product diluted in Acetone has an EC50 48hr = 2 mg/l with sublimed and uncrystallised products both diluted in acetone, having EC50 48 hr = 0.75 mg/l. Value used in CSA is EC50 (48hr) = 1.17 mg/l.

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 202) and Iron(2+) dicyclopenta-2,4-dienide (Ferrocene), CAS Number 102-54-5, EC Number 203-039-3 (equivalent or similar to OECD 202).

In an OECD 202 study, 1,1'-Bis(ferrocenyl)octane, CAS Number 501410-94-2, EC Number 479-710-1 has an 48 hour EC50 of > 0.36mg/L (measured) to Daphnia Magna. The NOEC was 0.36mg/L. The nominal value added to the water of 0.5mg/L is 10x the water solubility of the substance.

In the case of iron (2 +) dicyclopenta-2,4 -dienide (ferrocene), CAS Number 102 -54 -5, EC Number 203 -039 -3, three forms of the substance were tested in a study performed that was similar to OECD Guideline 202. Between the 3 different forms, EC50 values showed no hugely significant differences. Technical grade product diluted in Acetone gave EC50 24hr = 4 mg/l, sublimed and uncrystallised products both diluted in acetone gave EC50 24hr = 1.5 mg/l. They show however, that in acute tests daphnia magna are somewhat more sensitive to ferrocene than fish. For a CSA value as this study was only performed for 24 hours, the EC50 values have been decreased by 50% to allow for 48 hour exposure. Therefore technical grade product diluted in Acetone has an EC50 48hr = 2 mg/l with sublimed and uncrystallised products both diluted in acetone, having EC50 48 hr = 0.75 mg/l. Value used in CSA is EC50 (48hr) = 1.17 mg/l.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

0.36 mg/L