Registration Dossier

Administrative data

Endpoint:
acute toxicity: other routes
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
A real grade of toxicity of a NOAEL is not possible to evaluate with the aid of the modeling tool. It delivers only information about “direction” of toxicity and states that the substance is of unknown toxicity (“Class III” according to the modeling tool).
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report Date:
2011

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Prediction by the OECD QSAR Toolbox
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
Chemical 2,4,6-triisopropyl-m-phenylene diisocyanate evaluated by Toxtree modeling tool

Test animals

Species:
other: not applicable

Administration / exposure

Route of administration:
other: not applicable

Results and discussion

Effect levels
Dose descriptor:
other: Prediction
Effect level:
other: Class III substances are those that permit no strong initial presumption of safety, or may even suggest significant toxicity or have reactive functional groups
Based on:
other: QSAR rules evaluating structural alerts
Remarks on result:
other: Substance allocated in the “TOXTREE Toxicity Class III”, which is characteristical for substances with a possibly high level of toxicity. Prediction is based on identification of aromatic ring with complex substituent, a structural alert for toxicity.

Any other information on results incl. tables

Explanations of QSAR rules

Q1.Normal constituent of the body:No
Q2.Contains functional groups associated with enhanced toxicity:
No
Q3.Contains elements other than C,H,O,N, divalent S:
No
Q43.Possibly harmful divalent sulphur (not detected via Q3):
No
Q5.Simply branched aliphatic hydrocarbon or a common carbohydrate:
No
Q6.Benzene derivative with certain substituents:
No
Q42.Possibly harmful analogue of benzene:
No  
Q7.Heterocyclic:
No
Q16.Common terpene:
No
Q17.Readily hydrolysed to a common terpene:
No
Q19.Open chain:
No
Q23.Aromatic:Yes
Q27.Rings with substituents:Yes
Q28.More than one aromatic ring:
No
Q30.Aromatic Ring with complex substituents:Yes
Q31.Is the substance an acyclic acetal or ester of substances defined in Q30?:
No
Q32.Contains only the functional groups listed in Q30 or Q31 and those listed below:
No
Q22.Common component of food:
No
Q33.Has sufficient number of sulphonate or sulphamate groups:
No

Class:High (Class III)

Applicant's summary and conclusion

Conclusions:
No prediction was possible for the test substance, as Class III substances are those that permit no strong initial presumption of safety, or may even suggest significant toxicity or have reactive functional groups.
Executive summary:

For 2,4,6-triisopropyl-m-phenylene diisocyanate, no prediction was possible, as it was classified as a Class III substance and those do not permit a strong initial presumption of safety, or may even suggest significant toxicity or have reactive functional groups.