1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S)-

Long-term toxicity to aquatic invertebrates

Administrative data

Endpoint:

long-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:

study report

Title:

Unnamed

Year:

2012

Report date:

2015

Materials and methods

Principles of method if other than guideline:

Chronic toxicity on Daphnia (ChV) was predicted using LogKow-based QSARs that are specific for the chemical class(es) identified for the test item.

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

1,2-di-tert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate

EC Number:

807-593-2

Cas Number:

166410-05-5

Molecular formula:

C14H23NO5

IUPAC Name:

1,2-di-tert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate

Test organisms

Test organisms (species):

Daphnia magna

Study design

Test type:

other: in silico prediction

Water media type:

not specified

Results and discussion

Effect concentrations

Dose descriptor:

other: Chronic Value

Effect conc.:

1.67 mg/L

Conc. based on:

test mat.

Remarks on result:

other: Borderline reliable

Any other information on results incl. tables

Name	ECOSAR Class	ECOSAR Daphnia ChV (mg/L)	LogKow*	Applicability domain	Reliability assessment
1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S)	Carbamate esters	1.67	2.64	max LogKow = 8	BORDERLINE RELIABLE

ECOSAR assigned the target chemical 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S) to the class of Carbamate esters. Based on the Carbamate esters QSAR equation, ECOSAR predicted for the 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S) compound a chronic toxicity (ChV) to Daphnia equal to 1.67mg/L.Based onthe logKow cut-off, 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S)fallsinside the applicability domain of the model. However, ECOSAR highlighted that the chronic toxicity value was estimated through application of acute-to-chronic ratios method. Thus, the prediction was assessed as borderline reliable.

Applicant's summary and conclusion

Conclusions:

ECOSAR assigned the target chemical 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S) to the class of Carbamate esters predicting a ChV = 1.67 mg/l. The prediction was assessed as borderline reliable.