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Diss Factsheets

Administrative data

Description of key information

Copper diethylenetriamine sulfate is formed by mixing diethylenetriamine (DETA) and copper sulfate (CuSO4).

QSAR predictions (CAESAR, TOXTREE) identify DETA as a skin sensitiser. DETA is also classified as skin sensitiser in the ECHA dissemination website.

CuSO4 is not known as a skin sensitiser.

As a worst-case approach, copper diethylenetriamine sulfate is regarded as a skin sensitiser based on the known skin sensitisation properties of diethylenetriamine.

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Referenceopen allclose all

Endpoint:
skin sensitisation, other
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
ToxTree 2.6.13

2. MODEL (incl. version number)
Skin sensitisation reactivity domain (Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
NCCNCCN

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]
A QMRF is not available for this substance, but see Enoch et al. 2008 for more information on used algorithm, training dataset and applicability domain.

5. APPLICABILITY DOMAIN
See attached report of the QSAR predictions.

6. ADEQUACY OF THE RESULT
The QSAR predicts a high class (III) skin sensitisation based on the Cramer rules for diethylenetriamine.
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
http://toxtree.sourceforge.net
Specific details on test material used for the study:
SMILES: NCCNCCN
Parameter:
other: QSAR Prediction
Remarks on result:
other: Alert for Schiff base formation identified.

 QSNAR.SNAr-Nucleophilic Aromatic Substitution No   NCCNCCN
 QSB.Schiff Base Formation Yes Class Alert for Schiff base formation identified.NCCNCCN
 QMA.Michael Acceptor No   NCCNCCN
 Qacyl.Acyl Transfer Agents No   NCCNCCN
 QSN2.SN2-Nucleophilic Aliphatic Substitution No   NCCNCCN
 Q6.At least one alert for skin sensitisation? Yes   NCCNCCN

Interpretation of results:
study cannot be used for classification
Conclusions:
Based on the predictions of the ToxTree Skin Sensitisation QSAR (SMARTS pattern based approach), diethylenetriamine was identified as a potential skin sensitiser: alert for Schiff base formation.
Endpoint:
skin sensitisation, other
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
VEGA version 1.1.4

2. MODEL (incl. version number)
Skin Sensitization model (CAESAR) 2.1.6

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
NCCNCCN

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]
A QMRF is not available for this substance, but see the CAESAR website (http://www.caesar-project.eu/index.php?page=results§ion=endpoint&ne=2#sec05) for more information on used algorithm, training dataset and applicability domain.

5. APPLICABILITY DOMAIN
See attached report of the QSAR predictions and the QPRF.

6. ADEQUACY OF THE RESULT
The QSAR predicts diethylenetriamine as a skin sensitizer with high reliability.
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
VEGA-QSAR: AI inside a platform for predictive toxicology. Emilio Benfenati, Alberto Manganaro and Giuseppina Gini, December 5th 2013, Turin; Italy. Published on CEUR Workshop Proceedings Vol-1107
Specific details on test material used for the study:
SMILES: NCCNCCN
Parameter:
other: QSAR Prediction
Remarks on result:
positive indication of skin sensitisation

Compound SMILES: NCCNCCN
Experimental value: Sensitizer
Predicted skin sensitization activity: Sensitizer
O(Active): 0.96
O(Inactive): 0.04
Reliability: the predicted compound is into the Applicability Domain of the model Remarks:

none

Interpretation of results:
Category 1 (skin sensitising) based on GHS criteria
Conclusions:
Based on the predictions of the CAESAR Skin Sensitization Model (version 2.1.6) in the VEGA software package (version 1.1.4), diethylenetriamine is predicted to be a skin sensitizer.

The substance is part of the training dataset and predictions are thus highly reliable.
Endpoint:
skin sensitisation, other
Remarks:
review of all available skin sensitisation studies
Type of information:
other: Voluntary risk assessment of all available studies
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
This voluntary risk assessment report of copper and copper compounds has been submitted to the European Chemicals Agency by the European Copper Institute. This report is based on the industry initiative to perform a voluntary risk assessment on a substance according to the mechanisms of the implementation of the Existing Substance Regulation (EEC) No 793/93 (ESR). The procedure was agreed by the 11 Joint Meeting of the Competent Authorities for the Implementation of Directive 67/548/EEC and ESR Regulation.
Italy has been acting as a reviewing Member State for the substance and the risk assessment report has been reviewed by the Technical Committee on New and Existing Substances (TC NES) according to standard operational procedures of the Committee.
Principles of method if other than guideline:
This voluntary risk assessment report of copper and copper compounds gives an overview of all available test results for copper (compounds) relevant for the skins sensitisation endpoint.
Type of study:
other: review of available skin sensitisation studies of copper sulfate and other copper compounds
Remarks on result:
no indication of skin sensitisation

Copper sulphate pentahydrate failed to induce skin sensitisation in a GPMT (Mercier 1994 a– unpublished). Concentrations of test substance selected for induction and challenge were based on results of a sighting study. Induction involved intradermal injection of test substance (0.1% in water) on day 0, a concentration which produced weak to moderate irritation in the sighting study. This was followed by topical application of test substance (10% in water) on day 7 for 48 hours. Sodium lauryl sulphate (10%) was also applied at topical induction, prior to the test substance, as the test substance alone at a concentration of 10% failed to provoke signs of irritation in the sighting study. The skin response at topical induction in the main study was not reported. After an 11-day treatment-free period, animals were challenged by topical application of the test substance (10% in water) under an occlusive dressing for 24 hours. Skin response was assessed in animals (20 treated and 9 controls) at 24 and 48 hours after challenge. Slight erythema was observed in one treated animals at 24 hours, but not at 48 hours. No skin reactions occurred other treated animals or in controls at either time-point. In conclusion, copper sulphate pentahydrate produced a 0% sensitisation rate under the conditions of this test and is therefore considered to have no skin sensitising potential in guinea pigs. 

Interpretation of results:
GHS criteria not met
Conclusions:
No published studies are available which report on the potential of copper or its compounds to cause skin sensitisation in animals.
Endpoint conclusion
Endpoint conclusion:
adverse effect observed (sensitising)

Justification for classification or non-classification