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Toxicological information

Eye irritation

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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:
2012
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

Constituent 1
Chemical structure
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

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.