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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Toxicological information

Eye irritation

Currently viewing:

Administrative data

Endpoint:
eye irritation: in vivo
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Principles of method if other than guideline:
OECD Toolbox v3.1
Toolbox prediction report is attached in IUCLID
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
Xylose
EC Number:
200-400-7
EC Name:
Xylose
Cas Number:
58-86-6
Molecular formula:
C5H10O5
IUPAC Name:
(2S,3R,4S; 5R)-oxane-2,3,4,5-tetrol
Details on test material:
SMILES:C1(O)C(O)C(O)C(O)CO1

Test animals / tissue source

Species:
other: Rabbit

Results and discussion

In vivo

Results
Irritation parameter:
overall irritation score
Score:
1.86
Remarks on result:
other: MMAS (modified maximum average score)

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: MMAS

Estimation method: Takes average value from the 5 nearest neighbours

Domain  logical expression:Result: Out of Domain

 

(("a" and "b") and("c" and "d") )

 

Domain logical expression index: "a"

 

Referential boundary:The target chemical should be classified as Neutral Organics by Aquatic toxicity classification by ECOSAR ONLY

 

Domain logical expression index: "b"

 

Referential boundary:The target chemical should be classified as Discrete chemical by Substance Type

 

Domain logical expression index: "c"

 

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.65

 

Domain logical expression index: "d"

 

Parametric boundary:The target chemical should have a value of log Kow which is <= -0.621

 

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
MMAS (modified maximum average score) = 1.86, Slightly irritating based on expert judgement
Executive summary:

A MMAS (modified maximum average score) of 1.86 was derived by QSAR using the OECD Toolbox. The model was based on in vivo rabbit eye irritation using the five nearest neighbours. The test substance was determined to be slightly irritating to the eye based on expert judgement. Supporting documentation is provided in the attached prediction report.