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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
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EC number: 200-400-7 | CAS number: 58-86-6
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
Endpoint summary
Administrative data
Description of key information
The test substance is not expected to be a skin sensitizer.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- 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, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- OECD Toolbox v3.1
Toolbox prediction report is attached in IUCLID - GLP compliance:
- no
- Parameter:
- EC3
- Remarks on result:
- no indication of skin sensitisation based on QSAR/QSPR prediction
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- EC3 results by QSAR utilising the OECD Toolbox were negative indicating that the substance is not sensitising.
- Executive summary:
EC3 results by QSAR utilising the OECD Toolbox were negative indicating that the substance is not sensitising. Supporting documentation is provided in the attached prediction report.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC3
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: Out of Domain
(((("a"
and "b" )
and ("c"
and (
not "d")
)
)
and "e" )
and ("f"
and "g" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Neutral Organics by Aquatic
toxicity classification by ECOSAR ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Discrete chemical by Substance
Type
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.1
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
acylation involving a leaving group OR Acylation >> Direct acylation
involving a leaving group >> Acid anhydrides OR Acylation >> Direct
acylation involving a leaving group >> Azalactones OR Michael addition
OR Michael addition >> Michael addition on conjugated systems with
electron withdrawing group OR Michael addition >> Michael addition on
conjugated systems with electron withdrawing group >> Nitroalkenes OR
Michael addition >> Michael addition on conjugated systems with electron
withdrawing group >> N-sulfonylazomethyne compounds OR Michael addition
>> Michael type addition on vinyl pirydines and activated ethenylarenes
OR Michael addition >> Michael type addition on vinyl pirydines and
activated ethenylarenes >> Vinyl pyridines OR Nucleophilic addition OR
Nucleophilic addition >> Addition to Carbon-hetero double/triple bond OR
Nucleophilic addition >> Addition to Carbon-hetero double/triple bond >>
Ketones OR Schiff base formation OR Schiff base formation >>
Nucleophilic cycloaddition to diketones OR Schiff base formation >>
Nucleophilic cycloaddition to diketones >> Diketones OR SN2 OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom >> alpha-haloalkanes OR SNAr OR SNAr >>
Nucleophilic aromatic substitution on activated halogens OR SNAr >>
Nucleophilic aromatic substitution on activated halogens >> Activated
haloarenes by Protein binding by OASIS v1.1
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 16
- Oxygen O by Chemical elements ONLY
Domain
logical expression index: "f"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.74
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -0.14
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
The OECD Toolbox was used to undertake endpoint specific groupings for the skin sensitisation endpoint. Substances were subcategorised on the basis of common MOA - i. e. absence of alerting groups as flagged by the protein binding alert schemes. Data were taken from all protocols to maximise the ability to undertake a read-across. The read-across predictions in both cases were negative. This highlighted that starting from a different initial category and performing a series of subcategorisations still resulted in a consistent negative outcome. The test substance is not expected to be a skin sensitizer.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The test substance is not expected to be a skin sensitizer. Therefore, no classification is required for skin sensitization according to EU Classification and Packaging of Substances and Mixtures (CLP) Regulation (EC) No. 1272/2008.
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.
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