Registration Dossier

Ecotoxicological information

Short-term toxicity to aquatic invertebrates

Currently viewing:

Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Prediction report
Title:
R: QSAR Toolbox 2.3.0.1132 prediction for EC50 read across evaluation for 372-31-6
Author:
Sustainability Support Services (Europe) AB
Year:
2012
Bibliographic source:
QSAR Toolbox Version 2.3

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Estimated data
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: liquid
Details on test material:
-Substance Name: ethyl 4,4,4-trifluoroacetoacetate
-Molecular formula : C6H7F3O3
-Substance type: Organic
-physical state-liquid

Sampling and analysis

Analytical monitoring:
not specified

Test solutions

Vehicle:
not specified

Test organisms

Test organisms (species):
Daphnia magna

Study design

Test type:
static
Water media type:
freshwater
Total exposure duration:
48 h

Results and discussion

Effect concentrations
Duration:
48 h
Dose descriptor:
EC50
Effect conc.:
52.506 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
other: Immobilisation

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

((("a" and "b" ) and "c" ) and ("d" and "e" ) )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Esters (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Reactive unspecified by Acute aquatic toxicity MOA by OASIS

Domain logical expression index: "c"

Similarity boundary:Target: C(F)(F)(F)C(=O)CC(=O)OCC
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.247

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.897

Applicant's summary and conclusion

Conclusions:
The effective concentration (EC50) value of ethyl 4,4,4-trifluoroacetoacetate in aquatic invertebrate (Daphnia Magna) in a 48 hr study based on behavior was estimated to be 52.50552mg/L.
Executive summary:

The effective concentration (EC50) value ofethyl 4,4,4-trifluoroacetoacetatein aquatic invertebrate (Daphnia Magna) in a 48 hr study based on immobilisation was estimated to be 52.50552mg/L. Thus considering the value from CLP Criteria for aquatic classification of the substance , it is concluded thatethyl 4,4,4-trifluoroacetoacetatecould exhibit short term toxicity to aquatic invertebrate (Daphnia Magna) in chronic category 3.