Registration Dossier
Registration Dossier
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EC number: 211-059-9 | CAS number: 628-89-7
Eye irritation
Administrative data
- Endpoint:
- eye irritation: in vivo
- 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: Predicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for MMAS read across evaluation for 628-89-7
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR Toolbox version 2.3
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: estimation data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 2.3
- GLP compliance:
- no
Test material
- Reference substance name:
- 2-(2-chloroethoxy)ethanol
- EC Number:
- 211-059-9
- EC Name:
- 2-(2-chloroethoxy)ethanol
- Cas Number:
- 628-89-7
- Molecular formula:
- C4H9ClO2
- IUPAC Name:
- 2-(2-chloroethoxy)ethan-1-ol
- Details on test material:
- SMILES:C(Cl)COCCO
Constituent 1
Test animals / tissue source
- Species:
- rabbit
- Strain:
- other: unspecified
Test system
- Vehicle:
- unchanged (no vehicle)
Results and discussion
In vivo
Results
- Irritation parameter:
- other: MMAS(modified maximum average score (MMAS))
- Basis:
- mean
- Max. score:
- 27
- Reversibility:
- not reversible
- Remarks on result:
- other: Slightly irritant to eye
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: MMAS
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
("a" and ("b" and "c" ) )
Domain logical expression index: "a"
Similarity boundary:Target: C(Cl)COCCO
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Parametric boundary:The target chemical should have a value of log Kow which is >= -0.623
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= 0.454
Applicant's summary and conclusion
- Interpretation of results:
- Category II
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- By MMAS(modified maximum average score (MMAS)) from QSAR, eye irritation score of 2-(2-chloroethoxy)ethanolwas estimated as 27. Based on this score 2-(2-chloroethoxy)ethanol was found to be irritating to the eye of rabbit.
- Executive summary:
By MMAS(modified maximum average score (MMAS)) from QSAR, eye irritation score of 2-(2-chloroethoxy) ethanol was estimated as 27. Based on this score 2-(2-chloroethoxy)ethanol was found to be irritating to the eye of rabbit. Since the MMAS value is more than 25 so we cannot classify the substance as slightly irritating to eye and thus will have to place the substance to next level of classification in irritation category which as per the regulation is eye irritant in category 2 level.
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