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

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

calculation (if not (Q)SAR)

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 required

Vehicle:

not specified

Test organisms (species):

Daphnia magna

Test type:

not specified

Water media type:

not specified

Total exposure duration:

48 h

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

0.055 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

not specified

Remarks on result:

other: Neutral Organics

Validity criteria fulfilled:

not specified

Conclusions:

On the basis of EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 0.055 mg/l for test material in 48 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.

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 aquatic invertebrates was predicted.

On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 0.055 mg/l for test material in 48 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

Toxicity to aquatic invertebrate:

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 aquatic invertebrates was predicted.

On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be0.055mg/l for test materialin 48 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 invertebrates

Fresh water invertebrates

Effect concentration:

0.55 mg/L

Additional information

Toxicity to aquatic invertebrate:

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 aquatic invertebrates was predicted.

On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be0.055mg/l for test materialin 48 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.

The above predicition was supported by the data from authorative databases

1)To study the effects of test material on aquatic invertebrate test was carried for 48 H under static condition. Increasing trend of Intoxication (immobile) was measured during the test.Effective concentration EC50 to 50% of Daphnia pulex when exposed to test material for 48 h is 0.044 mg/L. It can be concluded from the EC50 Intoxication value that the test material is toxic to the aquatic invertebrateand can be considered as “Aquatic acute 1” as per the classification criteria for aquatic environment.

2)To study the effects of [1S-(1α,3aβ,4α,8aβ)]-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene on aquatic invertebrate test was carried for 48 H under static condition. Increasing trend of Intoxication (immobile) was measured during the test.

Effective concentration EC50 to 50% of Daphnia pulex when exposed to 1S-(1α,3aβ,4α,8aβ)]-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene for 48 h is 0.08 mg/L. It can be concluded from the EC50 Intoxication value that the 1S-(1α,3aβ,4α,8aβ)]-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene is toxic to the aquatic invertebrateand can be considered as “Aquatic acute 1” as per the classification criteria for aquatic environment.