T-A06

Short-term toxicity to aquatic invertebrates

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

Justification for type of information:

1. SOFTWARE
EPI-SUITE EPA USA & ECOSAR

2. MODEL (incl. version number)
EPI-Suite v4.11 & ECOSAR v1.11

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Clc1ccc(c(Cl)c1C)C(=O)C(=C\NC2CC2)/C(=O)OCC

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See QMRF in "Attached justification"
5. APPLICABILITY DOMAIN
See QPRF in "Attached justification"

6. ADEQUACY OF THE RESULT
See QPRF in "Attached justification"

Qualifier:

according to guideline

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:

Clc1ccc(c(Cl)c1C)C(=O)C(=C\NC2CC2)/C(=O)OCC

Test organisms (species):

Daphnia sp.

Key result

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

0.766 mg/L

Nominal / measured:

estimated

Remarks on result:

other: QSAR predicted value for Aliphatic Amines

Key result

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

8.479 mg/L

Nominal / measured:

estimated

Key result

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

7.402 mg/L

Nominal / measured:

estimated

Remarks on result:

other: QSAR predicted value for Vinyl/Allyl Ketones

Key result

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

5.949 mg/L

Nominal / measured:

estimated

Remarks on result:

other: QSAR predicted value for Neutral Organic SAR

ECOSAR Class	Organism	Duration	End Pt	Predicted mg/L (ppm)
Aliphatic Amines	Daphnid	48-hr	LC50	0.766
Esters	Daphnid	48-hr	LC50	8.479
Vinyl/Allyl Ketones	Daphnid	48-hr	LC50	7.402
Neutral Organis Sar (Baseline Toxicity)	Daphnid	48-hr	LC50	5.949

Validity criteria fulfilled:

not applicable

Conclusions:

The test item has an estimated LC50 of 0.766mg/L based on its aliphatic amines for Daphnids.

Executive summary:

The short term toxicity to aquatic invertebrates of the test item was estimated using ECOSAR v1.11 in EpiSuite v4.11 which predicted an LC50 of 0.766mg/L for Aliphatic Amines Class, 8.479mg/L for Esters Class, 7.402mg/L for Vinyl/Allyl Ketones Class and 5.949mg/L for Neutral Organic SAR Class for Daphnids. 

Description of key information

Short-term toxicity to aquatic invertebrates: Key Study: QSAR according to REACH Guidance on QSARs R.6, non GLP. The test item has an estimated LC50 of 0.766mg/L based on its aliphatic amines for Daphnids.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Dose descriptor:

LC50

Remarks:

Estimated

Effect concentration:

0.766 mg/L

Additional information

The short term toxicity to aquatic invertebrates of the test item was estimated using ECOSAR v1.11 in EpiSuite v4.11 which predicted an LC50 of 0.766mg/L for Aliphatic Amines Class, 8.479mg/L for Esters Class, 7.402mg/L for Vinyl/Allyl Ketones Class and 5.949mg/L for Neutral Organic SAR Class for Daphnids.