Registration Dossier
Registration Dossier
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EC number: 210-095-2 | CAS number: 605-71-0
Skin irritation / corrosion
Administrative data
- Endpoint:
- skin irritation / corrosion, other
- Remarks:
- (Q)SAR analysis and (Q)SAR database search
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 03 Oct 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- The (Q)SARs models used in this assessment have been evaluated by the Joint Research Centre (JRC) and the scientific validity of each software established according to five principles recommended by OECD and ECHA for regulatory purposes (Annex XI of the REACH).
At present, a summary of appropriate information on the (Q)SAR models, based on the topics listed below, is not available in a specific reporting format.
• • Endpoint, algorithm
• • Domain of applicability
• • Measures related to goodness-of-fit
• • Robustness
• • Predictivity and mechanism
However, the adequacy and reliability of each (Q)SAR prediction was checked for each endpoint following the procedures outlined in REACH Annex XI (1.3) in terms of suitability of the model (reliability, relevance for the purpose), applicability of the model to the substance of interest and adequacy of the predicted endpoint for classification and labelling.
See attached justification for further information.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- (Q)SAR Analysis
- GLP compliance:
- no
Test material
- Reference substance name:
- 1,5-dinitronaphthalene
- EC Number:
- 210-095-2
- EC Name:
- 1,5-dinitronaphthalene
- Cas Number:
- 605-71-0
- Molecular formula:
- C10H6N2O4
- IUPAC Name:
- 1,5-dinitronaphthalene
- Test material form:
- other: In SIlico
- Details on test material:
- In silico test item
Constituent 1
- Specific details on test material used for the study:
- In-Silico, test material specifics not applicable
In vitro test system
- Test system:
- other: Not Applicable (Q)SAR
- Source species:
- other: Not Applicable (Q)SAR
- Cell type:
- other: Not Applicable (Q)SAR
- Cell source:
- other: Not Applicable (Q)SAR
- Source strain:
- other: Not Applicable (Q)SAR
- Details on animal used as source of test system:
- Not Applicable (Q)SAR
- Vehicle:
- other: Not Applicable (Q)SAR
- Control samples:
- other: Not Applicable (Q)SAR
- Amount/concentration applied:
- Not Applicable (Q)SAR - structural analysis only, no concentration dependance
Test animals
- Species:
- other: Not Applicable (Q)SAR
- Strain:
- other: Not Applicable (Q)SAR
- Details on test animals or test system and environmental conditions:
- Not Applicable (Q)SAR - structural analysis only, no concentration dependance
Test system
- Type of coverage:
- other: Not Applicable (Q)SAR
- Preparation of test site:
- other: Not Applicable (Q)SAR
- Vehicle:
- other: Not Applicable (Q)SAR
- Controls:
- other: Not Applicable (Q)SAR
- Amount / concentration applied:
- Not Applicable (Q)SAR - structural analysis only, no concentration dependance
- Duration of treatment / exposure:
- Not Applicable (Q)SAR - structural analysis only, no concentration dependance
- Observation period:
- Not Applicable (Q)SAR - structural analysis only, no concentration dependance
- Number of animals:
- Not Applicable (Q)SAR - structural analysis only, no concentration dependance
- Details on study design:
- Not Applicable (Q)SAR - structural analysis only, no concentration dependance
Results and discussion
In vivo
Results
- Irritation parameter:
- other: (Q)SAR - structural analysis only, no concentration dependance
- Basis:
- other: (Q)SAR - structural analysis only, no concentration dependance
- Time point:
- other: (Q)SAR - structural analysis only, no concentration dependance
- Reversibility:
- not specified
- Remarks:
- Not specified as part of (Q)SAR analysis - structural analysis only, no reversibility ascertained
- Remarks on result:
- not determinable
- Remarks:
- All (Q)SAR analysis was either Inconclusive or Negative. The compound is therefore considered to be negative for skin irritation or corrosion.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Remarks:
- Overall, it was concluded from the weight of evidence that it is not possible to classify the substance of interest for skin irritation/corrosion.
- Conclusions:
- No skin irritation data was found in both in-house or external databases for the target and source molecules, although the HSDB database -occupational hazards- reports possible contact burns to the skin, related to the use of 1-nitronapthalene. This substance is used in the industry as a corrosion inhibitor, which suggests an extreme acidity profile contrary to that determined experimentally for the target substance (pH = 5.7). Therefore, it is not appropriate to use pH as the sole criterion for read-across analyses. Consequently, decision logic relied on the following aspects was applied to support the classification of this endpoint: i) the target substance is not corrosive (measured pH of 5.8); ii) no skin irritation data from animal studies are available for the target or source molecules, and iii) the (Q)SAR predictions did not provide sufficient basis for the presence of irritating potential.
Overall, it was concluded from the weight of evidence that it is not possible to classify the substance of interest for skin irritation/corrosion. - Executive summary:
No skin irritation data was found in both in-house or external databases for the target and source molecules, although the HSDB database -occupational hazards- reports possible contact burns to the skin, related to the use of 1-nitronapthalene. This substance is used in the industry as a corrosion inhibitor, which suggests an extreme acidity profile contrary to that determined experimentally for the target substance (pH = 5.7). Therefore, it is not appropriate to use pH as the sole criterion for read-across analyses. Consequently, decision logic relied on the following aspects was applied to support the classification of this endpoint: i) the target substance is not corrosive (measured pH of 5.8); ii) no skin irritation data from animal studies are available for the target or source molecules, and iii) the (Q)SAR predictions did not provide sufficient basis for the presence of irritating potential.
Overall, it was concluded from the weight of evidence that it is not possible to classify the substance of interest for skin irritation/corrosion.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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