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Diss Factsheets

Administrative data

Endpoint:
skin irritation / corrosion, other
Remarks:
In silico
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
other: Predicted data
Title:
Unnamed
Year:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARs R.6, May/July2008
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
(17β)-13-ethyl-3-methoxy-gona-1,3,5(10)-trien-17-yl acetate
EC Number:
604-939-2
Cas Number:
154095-77-9
Molecular formula:
C22H30O3
IUPAC Name:
(17β)-13-ethyl-3-methoxy-gona-1,3,5(10)-trien-17-yl acetate
Test material form:
solid: crystalline
Details on test material:
Test item: trienol acetateCas No.: 154095-77-9Batch No.: J65084NStorage: 15-30 °C

Results and discussion

In vivo

Results
Remarks on result:
no indication of irritation
Remarks:
QSAR prediction

Any other information on results incl. tables

Software Method Alert Predicted value
ChemProp Skin irritation and corrosion No Structural Alerts were found. Save
Toxtree Skin irritation / skin corrosion No Structural Alerts were found. Not Irritating or Corrosive to skin

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
According to (Q)SAR modells: Toxtree, ChemProp, the predicted values indicated that trienol-acetate is not irritating to skin. The result meets the requirement of No Hazard Category.