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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
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:
6,6-dimethylhept-1-en-4-yn-3-ol
EC Number:
616-644-6
Cas Number:
78629-20-6
Molecular formula:
C9H14O
IUPAC Name:
6,6-dimethylhept-1-en-4-yn-3-ol
Test material form:
liquid
Details on test material:
Test item: enynolCAS No.: 78629-20-6Batch number: L62042NPhysical state: colourless liquidStorage: store it in a cool, dry, well-ventillated place, free from direct sunlight

Results and discussion

In vivo

Results
Irritation parameter:
other:
Basis:
other: (Q)SAR predition
Remarks on result:
positive indication of irritation

Any other information on results incl. tables

Software Method Alert Predicted value
ChemProp Eye irritation and corrosion Structural Alerts were found. Eye irritation (H 315 with H 318 and H 314)

Applicant's summary and conclusion

Interpretation of results:
Category 2B (mildly irritating to eyes) based on GHS criteria
Conclusions:
According to (Q)SAR modell: ChemProp, the predicted value indicated that enynol is irritating. The result meets the requirement of Hazard Category 2B.