(2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene

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 estimates log Kow values using the US EPA's KOWWIN Program for aquatic toxicity.Toxicity of a chemical was measured on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program based upon the octanol /water partition coefficient (Kow). Data from ECOSAR class,neutral organics was used.

The estimation methods in EPI Suite™ have been developed by government, academic, and private sector researchers over many years and represent some of the best techniques currently available. The intended application domain of EPI Suite is organic chemicals, and inorganic as well as organometallic chemicals generally can be considered outside the domain.

GLP compliance:

no

Specific details on test material used for the study:

- Name of test material (IUPAC name): (2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
- IUPAC name: (2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
- Moleuclar formula: C15H24
- Molecular weight: 204.3546 g/mol
- Substance type: Organic
- Smiles: CC1(C)CCC=C2C(C)(C)[C@H]3CC[C@@]12C3
- Inchi: 1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1
- Physical state: liquid

Analytical monitoring:

not specified

Test organisms (species):

other: Fish

Test type:

not specified

Water media type:

not specified

Total exposure duration:

96 h

Reference substance (positive control):

not specified

Duration:

96 h

Dose descriptor:

EC50

Effect conc.:

0.068 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mortality (fish)

Remarks on result:

other: Neutral organics

Conclusions:

On the basis of EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to fish was predicted to be 0.068 mg/l for test material in 96hrs.
Based on this value it can be concluded that the substance is considered to be toxic to aquatic environment and can be classified in aquatic acute 1 category as per the criteria mentioned in CLP regulation.

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 LC 50 value for short term toxicity to fish was predicted to be 0.068 mg/l for test materialin 96 hrs.

Based on this value it can be concluded that the substance is considered to be toxic to aquatic environment and can be classified in aquatic acute 1 category as per the criteria mentioned in CLP regulation.

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 LC 50 value for short term toxicity to fish was predicted to be 0.068 mg/l for test materialin 96 hrs.

Based on this value it can be concluded that the substance is considered to be toxic to aquatic environment and can be classified in aquatic acute 1 category as per the criteria mentioned in CLP regulation.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish

Effect concentration:

0.068 mg/L

Additional information

Short term toxicity to fish:

The toxicity of test material on fish was predicted and evaluated by various data from data sources:

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 LC 50 value for short term toxicity to fish was predicted to be 0.068 mg/l for test materialin 96 hrs.

Based on this value it can be concluded that the substance is considered to be toxic to aquatic environment and can be classified in aquatic acute 1 category as per the criteria mentioned in CLP regulation.

1)Short term toxicity of fish was evaluated for test material on Pimephales promelas . The median lethal effect concentration (LC50) for fish after 96 h was observed to be 0.28 mg/l . Based on the above effect concentration it can be concluded that the test material is toxic for fish and can be classified as aquatic aute 1 category as per CLP criteria.

2)Short term toxicity of fish was evaluated for test material . The median lethal effect concentration (LC50) for fish after 96 h was observed to be >0.42 mg/l . Based on the above effect concentration it can be concluded that the test material is toxic for fish and can be classified as aquatic aute 1 category as per CLP criteria.