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Diss Factsheets

Ecotoxicological information

Short-term toxicity to aquatic invertebrates

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Justification for type of information:
See attached the QMRF and QPRF for the QSAR model.
See also attached the chemical class information document.

Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
The ECOSAR User Manual, ECOSAR. A Computer Program for Estimating the Ecotoxicity of Industrial Chemicals (EPA-748-R-93-002)
Estimating Toxicity of Industrial Chemicals to Aquatic Organisms Using Structure Activity Relationships (EPA-748-R-93-001).
ECOSAR v1.11 Methodology Document.
ECOSAR v1.11 Operation Manual.
Specific details on test material used for the study:
SMILES: CCOC(=O)C5=CN(C1CC1)c4c(C)c(c3cnc(N(C)C(=O)c2ccccc2)c(C)c3)ccc4C5(=O)
Test organisms (species):
Daphnia sp.
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
0.056 mg/L
Nominal / measured:
estimated
Remarks on result:
other: QSAR predicted value (Neutral Organic SAR)
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
0.055 mg/L
Nominal / measured:
estimated
Remarks on result:
other: QSAR predicted value (Vinyl/Allyl Ketones class)
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
0.304 mg/L
Nominal / measured:
estimated
Remarks on result:
other: QSAR predicted value (esters class)
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
0.023 mg/L
Nominal / measured:
estimated
Remarks on result:
other: QSAR predicted value (amides class)

ECOSAR v1.11 predicted that the test substance has a 48 h-LC50 to daphnia of 0.304 mg/L based on esters estimation class, 0.055 mg/L based on Vinyl/Allyl Ketones estimation class, 0.023 mg/L based on Amides estimation class and 0.056 mg/L based on Neutral Organic SAR.

Validity criteria fulfilled:
not applicable
Conclusions:
The daphnia 48-h LC50 for the test substance was predicted to be 0.023 mg/L (EPI-Suite, ECOSAR v1.11, lower value between class-specific (esters, vinyl/allyl Ketones, amides) and neutral organic SAR estimations).
Executive summary:

The short-term toxicity to aquatic invertebrates of the test substance was determined by using EPI-Suite, ECOSAR v1.11. The daphnia 48-h LC50 for the test substance was predicted to be 0.304 mg/L based on esters estimation class, 0.055 mg/L based on Vinyl/Allyl Ketones estimation class, 0.023 mg/L based on Amides estimation class and 0.056 mg/L based on Neutral Organic SAR.

Description of key information

Key Study: Data from EPI-Suite, EPA (USA) / ECOSAR v1.11. The daphnia 48-h LC50 for the test substance was predicted to be 0.304 mg/L based on esters estimation class, 0.055 mg/L based on Vinyl/Allyl Ketones estimation class, 0.023 mg/L based on Amides estimation class and 0.056 mg/L based on Neutral Organic SAR.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates
Effect concentration:
0.023 mg/L

Additional information