Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
eye irritation
Remarks:
other: in silico prediction
Type of information:
(Q)SAR
Adequacy of study:
supporting 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
Report date:
2015

Materials and methods

Principles of method if other than guideline:
Eye irritation was estimated by using ACD/Percepta QSAR model and Toxtree decision rule system.
GLP compliance:
no

Results and discussion

In vivo

Results
Irritation parameter:
other: alert
Remarks on result:
other: Not eye irritant

Any other information on results incl. tables

Name

ACD/Percepta prediction

Toxtree prediction

Consensus prediction

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

NOT EYE IRRITANT

(not reliable)

NOT EYE IRRITANT

(na*)

NOT EYE IRRITANT

 (na*)

Toxtree predicts the eye irritation caused by a chemical according to the EU risk phrases (R34: Causes burns; R35: Causes severe burns; R36: Irritating to eyes (moderate eye irritation reversible within ≤ 21 days); R41: Risk of serious damage to eyes (moderate but persistent eye lesions, eye corrosion)), based on physicochemical property exclusion rules and structural inclusion rules. Toxtree predicted the target 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S) as NOT eye irritant, since the target does not fulfil any inclusion rule while it meets the rule related to compounds containing Carbon (C), Hydrogen (H), Oxygen (O), Nitrogen (N) and Halogen (Hal) atoms with aqueous solubility < 0.1 g/L (target EPISuite/WSKOWWIN estimated aqueous solubility = 0.083 g/L).

Applicant's summary and conclusion

Interpretation of results:
not irritating
Remarks:
Migrated information
Conclusions:
Since ACD/Percepta prediction for 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S) resulted not reliable, based on Toxtree prediction it was concluded that 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1,2-bis(1,1-dimethylethyl) ester, (2S) is predicted as NOT SKIN IRRITANT.