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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
10-10-2020
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
1. SOFTWARE
Toxtree

2. MODEL (incl. version number)
Toxtree v3.1.0
Profiler applied: Eye irritation and corrosion

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles: CC(C)(O)C1CCC(C)(O)CC1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
No QMRF is currently available for this endpoint from the model developer. Toxtree documentation discussing irritation profilers have been provided.

5. APPLICABILITY DOMAIN
See attached report

6. ADEQUACY OF THE RESULT
See attached report

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR study result
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
p-menthane-1,8-diol
EC Number:
201-288-2
EC Name:
p-menthane-1,8-diol
Cas Number:
80-53-5
Molecular formula:
C10H20O2
IUPAC Name:
4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol
Test material form:
solid

Test animals / tissue source

Species:
other: not applicable
Strain:
other: not applicable
Details on test animals or tissues and environmental conditions:
not applicable

Test system

Vehicle:
other: not applicable
Controls:
other: not applicable
Amount / concentration applied:
not applicable
Duration of treatment / exposure:
not applicable
Observation period (in vivo):
not applicable
Duration of post- treatment incubation (in vitro):
not applicable
Number of animals or in vitro replicates:
not applicable
Details on study design:
QSAR study

Results and discussion

In vitro

Results
Irritation parameter:
other: QSAR result
Remarks on result:
no indication of irritation
Other effects / acceptance of results:
Toxtree evaluation showed no alerts for eye irritation/corrosion.

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
Toxtree evaluation showed no alerts for eye irritation/corrosion.
Executive summary:

Toxtree v3.1.0 was used to predict the eye irritation/corrosion potential  of 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol

The query structure does not match any structural alerts or examples for eye irritation/corrosion in Toxtree.

Toxtree evaluation showed no alerts for eye irritation/corrosion.