4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one

Short-term toxicity to fish

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to fish

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Data is from computational model developed by USEPA

Justification for type of information:

Data is from computational model developed by USEPA

Qualifier:

according to guideline

Guideline:

other: Modeling database

Principles of method if other than guideline:

ECOSAR v1.00

GLP compliance:

no

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

other: Fish

Test type:

not specified

Water media type:

freshwater

Total exposure duration:

96 h

Hardness:

no data

Test temperature:

no data

pH:

no data

Dissolved oxygen:

no data

Salinity:

no data

Nominal and measured concentrations:

no data

Details on test conditions:

no data

Reference substance (positive control):

not specified

Duration:

96 h

Dose descriptor:

LC50

Effect conc.:

1.376 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Remarks on result:

other: ECOSAR Class: Neutral Organic SAR(Baseline Toxicity)

Conclusions:

Based on the QSAR prediction done using the EPI Suite ECOSAR version 1.10, the 96 hours LC50 was estimated to be 1.376 mg/l in freshwater on fish for substance with mortality effects.

Executive summary:

Based on the prediction done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to fish was predicted. On the basis of this program, the LC50 value for short term toxicity to aquatic invertebrates was predicted to be 1.376 mg/l for test material in 48 hrs. Based on the above effect concentration value it can be predicted test substance is toxic to fish and can be classified as aquatic acute 2 as per CLP criteria.

Description of key information

Short term toxicity to fish:

Based on the prediction done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to fish was predicted. On the basis of this program, the LC50 value for short term toxicity to aquatic invertebrates was predicted to be 1.376 mg/l for test material in 48 hrs. Based on the above effect concentration value it can be predicted test substance is toxic to fish and can be classified as aquatic chronic 2 as per CLP criteria.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

1.376 mg/L

Additional information

Short term toxicity to fish:

The toxicity of test material was evaluated for fish using a predicted study and to support the prediction , data from secondary source of structurally similar read across substance was also used.

Based on the prediction done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to fish was predicted. On the basis of this program, the LC50 value for short term toxicity to aquatic invertebrates was predicted to be 1.376 mg/l for test material in 48 hrs. Based on the above effect concentration value it can be predicted test substance is toxic to fish and can be classified as aquatic chronic 2 as per CLP criteria.

The above prediction was further supported by data from secondary source of structurally similar read across substance, experimental study for test chemical was conducted according to guideline 203. Rainbow Trout (average length, 5.8 cm), were exposed to a series of 5 test concentrations of 0, 7.8, 10.9, 15.3, 21.4, or 30 mg/L dispersed in Polysorbate 80 (10 mg/L) for 96 hours at 17.1 °C. Control fish were exposed to polysorbate 80 (10 mg/L). Fish were observed twice daily for mortality and symptoms. pH values and water temperature were monitored after substance addition at 24 hour intervals. Dissolved oxygen was measured at the beginning of the experiment and at 96 hours. The LC50 value for the given test material is 10.9 mg/L.Based on the above effect concentration it can be concluded that test material is toxic to fish and can be classified as aquatic chronic 2.

According to another study from secondary source for structurally similar read across substance , as per the guideline 203, Rainbow Trout (average length, 6-8 cm), were exposed to a series of 2 test concentrations of 0, 5, or 10 mg/L of test material for 96 hours at 16+/-1°C.During experiment the LC0 was determined to be 5 mg/L while LC100 as 10 mg/L. Thus LC50 value for the given test material was considered to be between 5mg/L and 10 mg/L.Based on the above effect concentration it can be concluded that test material is toxic to fish and can be classified as aquatic chronic 2.

In a data from peer reviewed handbook it was observed that,short term toxicity of test material was evaluated for Leuciscus idus fish for 96 h . The minimum leathel effect concentration (LC50) was observed to be 6.8 mg/l.

Based on the above effect concentrations it can be concluded that test material is toxic to fish and can be classified as aquatic chronic 2.