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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Skin irritation / corrosion

Currently viewing:

Administrative data

Endpoint:
skin irritation / corrosion, 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 used: Skin Irritation/ Skin 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
See attached document from Toxtree website discussing the profiler used to generate this prediction.

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

In vitro test system

Test system:
other: QSAR study
Source species:
other: not applicable
Cell type:
other: not applicable
Cell source:
other: not applicable
Source strain:
other: not applicable
Details on animal used as source of test system:
not applicable
Justification for test system used:
QSAR study result
Vehicle:
other: not applicable
Details on test system:
not applicable
Control samples:
other: not applicable
Amount/concentration applied:
not applicable
Duration of treatment / exposure:
not applicable
Duration of post-treatment incubation (if applicable):
not applicable
Number of replicates:
not applicable

Test animals

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

Test system

Type of coverage:
other: not applicable
Preparation of test site:
other: not applicable
Vehicle:
other: not applicable
Controls:
other: not applicable
Amount / concentration applied:
not applicable
Duration of treatment / exposure:
not applicable
Observation period:
not applicable
Number of animals:
not applicable
Details on study design:
QSAR study

Results and discussion

In vitro

Results
Irritation / corrosion parameter:
other: QSAR result
Remarks on result:
no indication of irritation
Other effects / acceptance of results:
No structural alerts were identified for skin irritation/skin corrosion for 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol using Toxtree v3.1.0.

Applicant's summary and conclusion

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

Toxtree v3.1.0 was used to predict the skin 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 skin irritation/corrosion in Toxtree.

Toxtree evaluation showed no alerts for skin irritation/corrosion.