Registration Dossier
Registration Dossier
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EC number: 203-464-4 | CAS number: 107-12-0
Endpoint summary
Administrative data
Description of key information
The assessment of the skin sensitisation potential of propionitrile is based on two elements: a read-across from closely related substances (short-chain nitriles) for which in vivo skin sensitisation tests are available and a QSAR based on reactivity domains (ToxTree).
Because all substances in the read-across are very similar in structure, any possible mechanism for skin toxicity is expected to be shared between these substances. As no skin sensitisation was observed for any of the category members (unbranched, short-chain nitriles), no skin sensitisation potential is expected for propionitrile.
Additionally, based on the molecular structure of proprionitrile, the
Skin Sensitisation reactivity domains QSAR implemented in the ToxTree
software predicted no skin sensitisation potential.
The combination of the QSAR prediction and the read-across from
closely-related substances gives confidence to the conclusion that
proprionitile will not cause skin sensitisation.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation, other
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- REPORTING FORMAT FOR THE CATEGORY APPROACH
[Please provide information for all of the points below addressing endpoint-specific elements that were not already covered by the overall category approach justification made available at the category level. Indicate if further information is included as attachment to the same record, or elsewhere in the dataset (insert links in 'Cross-reference' table)]
See the attached documentation for more details on the category approach - Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Remarks on result:
- no indication of skin sensitisation based on QSAR/QSPR prediction
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on the read-across from four closely related substances, propionitrile is not expected to cause skin sensitisation.
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
TOXTREE v2.6.13
2. MODEL (incl. version number)
Skin Sensitisation reactivity domains
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCC#N
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
See QMRF
5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
The applicability domain of each alert is defined by its modulating factors.
- Descriptor domain:
Not applicable as the QSAR is based on structural alerts.
- Structural and mechanistic domains:
None of the structural domains included in the training dataset have been found in the test substance.
- Similarity with analogues in the training set:
Not provided.
6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment] - Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Remarks on result:
- no indication of skin sensitisation based on QSAR/QSPR prediction
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- No reactivity domains for skin sensitisation were identified using a QSAR. Therefore, no skin sensitisation potential is expected.
Referenceopen allclose all
QSNAR.SNAr-Nucleophilic Aromatic Substitution No
CCC#N
QSB.Schiff Base Formation No
CCC#N
QMA.Michael Acceptor No
CCC#N
Qacyl.Acyl Transfer Agents No
CCC#N
QSN2.SN2-Nucleophilic Aliphatic Substitution No
CCC#N
Q6.At least one alert for skin sensitisation? No Class No
skin sensitisation reactivity domains alerts identified.CCC#N
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
Justification for classification or non-classification
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
