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Short-term toxicity to aquatic invertebrates

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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:
accepted calculation method
Justification for type of information:
Data is from computational model developed by USEPA
Qualifier:
according to
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:
not specified
Specific details on test material used for the study:
Name of test material: Trichloroacetaldehyde
Molecular formula: C2HCl3O
Molecular weight: 147.3879 g/mol
Physical State: Liquid
Smiles notation: C(C=O)(Cl)(Cl)Cl
InChl : HFFLGKNGCAIQMO-UHFFFAOYSA-N
Analytical monitoring:
not specified
Vehicle:
not specified
Test organisms (species):
Daphnia magna
Test type:
not specified
Water media type:
freshwater
Total exposure duration:
48 h
Reference substance (positive control):
not specified
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
340.8 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
other: Neutral Organics, Note: * = asterisk designates: Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.
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 Daphnid (aquatic invertebrates) was predicted to be 340.80 mg/l for Trichloroacetaldehyde i.e Chloral in 48 hrs.
Based on this value it can be concluded that the substance is likely to be non toxic to aquatic environment and can be considered to be not classified as per the criteria mentioned in CLP regulation.
Executive summary:

Using the 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 EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 340.80 mg/l for Trichloroacetaldehyde i.e Chloral in 48 hrs. Based on this value it can be concluded that the substance is likely to be non toxic to aquatic environment and can be considered to be not classified as per the criteria mentioned in CLP regulation.

Description of key information

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for Trichloroacetaldehyde i.e Chloral (Cas no. 75-87-6). Effect concentration i.e EC50 value was estimated to be 365.07 mg/l for Daphnia magna for 48 hrs duration. Based on the effect value, Trichloroacetaldehyde i.e Chloral (Cas no. 75-87-6) was likely to be non toxic to aquatic invertebrates, hence it can be considered to be not classified as per the CLP classification criteria for aquatic environment.

Key value for chemical safety assessment

EC50/LC50 for freshwater invertebrates:
365.07 mg/L

Additional information

Five studies including predicted data from validated tools and experimental data from authorative database for short term aquatic invertebrate’s endpoint of test chemical Trichloroacetaldehyde i.e Chloral (Cas no.75 -87-6) with relevant read across which is structurally similar to target were summarised as follows:

First data using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, which indicate the short term toxicity on aquatic invertebrates was predicted for Trichloroacetaldehyde i.e Chloral (Cas no. 75-87-6). Effect concentration i.e EC50 value was estimated to be 365.07 mg/l for Daphnia magna for 48 hrs duration. Based on the effect value, Trichloroacetaldehyde i.e Chloral (Cas no. 75-87-6) was likely to be non toxic to aquatic invertebrates.

Similarly prediction 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 suggest the LC 50 value for short term toxicity to aquatic invertebrates was predicted. 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 340.80 mg/l for Trichloroacetaldehyde i.e Chloral in 48 hrs.

Another predicted model i.e Battery (Danish (Q)SAR Database) which is based on the average value of both models Leadscope Enterprise model and SciMatics SciQSAR model, indicate the 48 hours effect concentration i.e EC50 was estimated to be 345.183 mg/l on Daphnia Magna for substance Trichloroacetaldehyde (Chloral) with immobilization effects.

Above all results of target assist by experimental result from authorative database of read across chemical 2,2,2-trichloroethanol (Cas no.115-20-8) which suggest Short term toxicity to aquatic invertebrates was performed in Ceriodaphnia reticulata (Water Flea) for 48 hrs with <24 hrs age at Larva(e) stage (1ST INSTAR) Test in fresh water media. After the experiment, the EC 50 value for 2,2,2-trichloroethanol (Cas no.115-20-8) was determined to be 190 mg/l on the basis of intoxication. (ECOTOX database; 2017)

One another read across from same database i.e ECOTOX database indicate Short term toxicity to aquatic invertebrates was performed in Palaemonetes pugio (Daggerblade Grass Shrimp) for 48 hrs at Juvenile(s) stage. Test in fresh water media and static condition. During experiment, the EC 50 value for Methylene Chloride (Cas no.75-09-2) was determined to be 108.5 mg/l (concentration range from 92.3 - 130.9 mg/l) on the basis of intoxication.

Thus based on the all available effect concentrations which is in the range 108.5 mg/l to 365.07 mg/l of target and read across chemicals come to the conclusion that test substance Trichloroacetaldehyde i.e Chloral (Cas no.75-87-6) was likely to be non toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulation.