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Diss Factsheets
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EC number: 220-489-6 | CAS number: 2783-17-7
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
An assessment of the alkalinity of the substance is taken into considerations as well as prediction of the corrosivity using QSAR Toolbox.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation / corrosion, other
- Type of information:
- other: assessment of the acid or alkaline reserve
- Adequacy of study:
- weight of evidence
- Study period:
- April 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: assessment of the acid or alkaline reserve in accordance with (EC) No 1907/2006, Annex VII, 8.1
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- an assessment of the alkaline reserve is performed based on the calculated pKb values
- GLP compliance:
- no
- Specific details on test material used for the study:
- only structural features used for conclusion,
Smiles notation: C(CCCCCCN)CCCCCN - Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- not applicable
- Remarks on result:
- other: corrosivity predicted based on alkality
- Interpretation of results:
- Category 1 (corrosive) based on GHS criteria
- Conclusions:
- Due to the structure of the substance (aliphatic amine) and the calculated pKa values, the substance is considered corrosive.
- Endpoint:
- skin irritation / corrosion, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- April 2019
- 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
OECD QSAR Toolbox 4.3.1
2. MODEL (incl. version number)
The OECD QSAR Toolbox is understood as an interlink between a pure QSAR (in the meaning of only target substance properties are used as input to a fixed calculation) and a pure Read Across approach (in the meaning of use of similarity between the target substance and a source substance).
within the QSAR Toolbox a category is defined and used for prediction
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
NCCCCCCCCCCCCN
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
please refer to attached documents
5. APPLICABILITY DOMAIN
please refer to attached documents
6. ADEQUACY OF THE RESULT
please refer to attached documents - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR Toolbox prediction by collecting data from substances within specified category.
- GLP compliance:
- no
- Specific details on test material used for the study:
- in silico prediction only
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- not applicable
- Remarks on result:
- other: corrosivity predicted by OECD QSAR Toolbox
- Interpretation of results:
- Category 1 (corrosive) based on GHS criteria
- Conclusions:
- The corrosive properties (i.e. skin corrosion) for the substance are predicted based on a category
approach. Due to the chemical structure, the substance is assumed to be corrosive to the skin. This
assumption is supported by the prediction.
Referenceopen allclose all
Due to the high pka values which are in the range of Ammonia or Aminomethane, and the substance being dibasic, the substance is readily deprotonated in aqueous media and a high pH therefore results. Like other Amines, high corrosivity towards biological material is expected and the substance is classified accordingly.
The alkaline reserve is assumed to be high as the substance is identified as a medium to strong base and therefore a high amount of acid will be needed for neutralisation.
Predicted value: corrosive
Predicted endpoint (OECD Principle 1 - Defined endpoint): Human Health Hazards -> Irritation /
Corrosion -> Skin Irritation/Corrosion
Uncertainty of the prediction (OECD principle 4 - Uncertainty of the prediction):
The prediction is based on 12 values, 4 of them (33,3%, ) equal to predicted value
Prediction confidence is measured by the p-value: 0,000639
other values have different desciptors which are rated similar to predicted.
Following descriptors are rated to be similar to "corrosive":
Category 1C (corrosive) based on GHS criteria
Category 1B (corrosive) based on GHS criteria
Category 1B (corrosive)
Category 1A (corrosive)
Category 1 (corrosive) based on GHS criteria
Category 1 (corrosive)
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (corrosive)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vitro / ex vivo
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance is classified as skin corrosion, leading to classification as serious eye damage (Category 1)
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irreversible damage)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Additional information
Endpoint conclusion on respiratory irritation is derived from classification for skin corrosion.
Justification for classification or non-classification
The available information is conclusive and sufficient for classifiaction as skin corrosion, cat. 1.
In conclusion, the substance is classified as eye damage, cat. 1
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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