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EC number: 248-451-4 | CAS number: 27425-55-4
- 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
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation
- Remarks:
- in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Type of study:
- other: estimation
- Species:
- mouse
- Strain:
- CBA
- Sex:
- female
- Vehicle:
- DMSO
- Concentration / amount:
(low dose): 5% (w/w) test substance
(mid dose): 10% (w/w) test substance
(high dose): 21.9% (w/w) test substance- Vehicle:
- DMSO
- Concentration / amount:
(low dose): 5% (w/w) test substance
(mid dose): 10% (w/w) test substance
(high dose): 21.9% (w/w) test substance- No. of animals per dose:
- 3 goups of 5 female per dose
- Positive control substance(s):
- yes
- Positive control results:
- The positive control substance led to a stimulation index of 9.5, thus demonstrating the validity of the experiment.
- Clinical observations:
- not sensitising
- Remarks on result:
- other: Clinical observations: not sensitising.
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The test chemical 3-(1H-benzimidazol-2-yl)- 7-(diethylamino)-2-benzopyrone (CAS no 27425 -55 -4) is not a skin sensitizer.
- Executive summary:
Skin sensitization was estimated using SSS QSAR prediction model, 2016 using Guinea pigs. The test chemical 3-(1H-benzimidazol-2-yl)- 7-(diethylamino)-2-benzopyrone (CAS no 27425 -55 -4) is not a skin sensitizer.
The test material is not likely to classify as a skin sensitizer.
Reference
The prediction was based on dataset comprised from the following descriptors: "Skin Sensitisation"
Estimation method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(("a" or "b" or "c" or "d" ) and ("e" and "f" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Esters AND Imidazoles by Aquatic toxicity classification by ECOSAR
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic Nitrogen, one aromatic attach [-N] AND Amino, aliphatic attach [-N<] AND Aromatic Carbon [C] AND Carbonyl, olefinic attach [-C(=O)-] AND Cyclic ester AND Cyclic esters, olefinic type AND Ester, aromatic attach [-C(=O)O] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen, two or tree olefinic attach [>N-] AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND Oxygen, two olefinic attach [-O-] by Organic functional groups (US EPA)
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Carbonic acid derivative AND Heterocyclic compound AND Lactone AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)
Domain logical expression index: "d"
Similarity boundary:Target: CCN(CC)c1ccc2C=C(C3Nc4ccccc4N=3)C(=O)Oc2c1
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain logical expression index: "e"
Parametric boundary:The target chemical should have a value of log Kow which is >= 0.291
Domain logical expression index: "f"
Parametric boundary:The target chemical should have a value of log Kow which is <= 9.29
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization
Skin sensitization was estimated using SSS QSAR prediction model, 2016 using Guinea pigs. The test chemical 3-(1H-benzimidazol-2-yl)- 7-(diethylamino)-2-benzopyrone (CAS no 27425 -55 -4) is not a skin sensitizer.The test material is not likely to classify as a skin sensitizer.
In other study by (Sziza, M. and Podhragyai, L., 1957) with similar substance (91-66-7) was assessed in guinea pig. No sensitization was reported from the Induction exposure by dermal application of a 10 % solution of N, N-diethylaniline; and challenge exposure by dermal application of 1 or 2 % solutions of N,N-diethylaniline.
On the basis of available information for the target as well as read across substance and applying weight of evidence approach, the test substance can be considered as not sensitising to the skin.
Migrated from Short description of key information:
The test chemical 3-(1H-benzimidazol-2-yl)- 7-(diethylamino)-2-benzopyrone (CAS no 27425 -55 -4) is not a skin sensitizer.
Justification for selection of skin sensitisation endpoint:
Skin sensitization was estimated using SSS QSAR prediction model, 2016 using Guinea pigs. The test chemical 3-(1H-benzimidazol-2-yl)- 7-(diethylamino)-2-benzopyrone (CAS no 27425 -55 -4) is not a skin sensitizer.The test material is not likely to classify as a skin sensitizer.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The test substance3-(1H-benzimidazol-2-yl)- 7-(diethylamino)-2-benzopyrone can be classified as non-sensitizer to skin.
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