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EC number: 218-737-3 | CAS number: 2222-33-5
- 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
The skin sensitization potential of 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) was estimated by using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances. 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) was predicted to be not sensitizing to the skin of Pirbright-White guinea pig.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-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 limited documentation / justification
- Justification for type of information:
- Data is from QSAR toolbox v. 3.4 and the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 406 (Skin Sensitisation)
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toollbox v3.4
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- Not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Dibenzo[b,f]cyclohepten-1-one
- Molecular formula: C15H10O
- Molecular weight: 206.243 g/mol
- Substance type: Organic
- Physical state: Solid - Species:
- guinea pig
- Strain:
- other: Pirbright-White
- Sex:
- female
- Details on test animals and environmental conditions:
- TEST ANIMALS
-Strain specifics: Hoe: DHPK (SPFLac)- Source: Hoechst AG, Kastengrund, SPF breeding colony
- Weight at study initiation: mean 385 g (range: 352-431 g)
- Housing: in groups of five animals in Makrolon type 4 cages in fully air-conditioned rooms
- Diet (e.g. ad libitum): standard diet, ad libitum
- Water (e.g. ad libitum): tap water, ad libitum
- Acclimation period: not necessary (breeding at identical conditions)- Randomisation: randomisation scheme 95.0421
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 20 ± 3 °C
- Humidity (%): 50 ± 20%
- Air changes (per hr): fully air-conditioned
- Photoperiod (hrs dark / hrs light):12/12 - Route:
- intradermal and epicutaneous
- Vehicle:
- other: Freund's Adjuvant, semi-liquid paraffin and petrolatum
- Concentration / amount:
- 5%
- Day(s)/duration:
- 48 hour
- Route:
- epicutaneous, occlusive
- Vehicle:
- other: Freund's Adjuvant, semi-liquid paraffin and petrolatum
- Concentration / amount:
- 5%
- Day(s)/duration:
- 48 Hour
- No. of animals per dose:
- 10 animals
- Details on study design:
- No data available.
- Challenge controls:
- No data available.
- Positive control substance(s):
- not specified
- Statistics:
- No data available.
- Reading:
- 1st reading
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- 5%
- No. with + reactions:
- 0
- Total no. in group:
- 10
- Clinical observations:
- No skin sensitization reaction observed.
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: not sensitising
- Conclusions:
- The skin sensitization potential of 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) was estimated by using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances. 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) was predicted to be not sensitizing to the skin of Pirbright-White guinea pig.
- Executive summary:
The skin sensitization potential of 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) was estimated by using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances. 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) was predicted to be not sensitizing to the skin of Pirbright-White guinea pig.
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" )
and ("d"
and (
not "e")
)
)
and "f" )
and ("g"
and "h" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Cyclo conjugated system AND
Cycloketone AND Fused unsaturated carbocycles AND Quinoid compounds by
Organic Functional groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Fused unsaturated carbocycles
AND Overlapping groups AND Quinoid compounds by Organic Functional
groups (nested)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Carbonyl, olefinic attach
[-C(=O)-] AND Ketone in a ring, olefinic aromatic attach AND
Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or
=C<] by Organic functional groups (US EPA)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 by Estrogen Receptor Binding
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.38
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.67
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization
In different studies, 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 )has been investigated for potential for dermal sensitization to a greater or lesser extent. The prediction is based on in vivo experiments in guinea pig for target chemical 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 )and its structurally similar read across substances 5, 12-dihydroquino[2,3-b]acridine-7,14-dione (1047-16-1). The predicted data using the OECD QSAR toolbox and Danish QSAR have also been compared with the experimental data of read across.
The skin sensitization potential of 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) was estimated by SSS (2017) using OECD QSAR toolbox v3.4 with log kow as the primary descriptor and considering the six closest read across substances. 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) was predicted to be not sensitizing to the skin of Pirbright-White guinea pig.
Another prediction done using the Danish (Q) SAR Database, the skin sensitization was estimated to be negative on guinea pig and human for1H-dibenzo[a,d][7]annulen-1-one . Using Battery algorithm model of Danish QSAR, Allergic Contact Dermatitis for 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) estimated to be not sensitizing when applied to human and guinea pig skin.
Further supported by experimental data conducted by Environmental Protection Agency, Washington, DC. Office of Toxic ( EPA/OTS; Doc #86-920000391S, NTIS/OTS0533729, 1991) on structurally similar read across substance 5, 12-dihydroquino[2,3-b]acridine-7,14-dione (1047-16-1)in albino guinea pigs. The read across substances share high similarity in structure and log kow . Therefore, it is acceptable to derive information on skin sensitization from the analogue substance. Tests for skin sensitization potential have been conducted for 5, 12-dihydroquino[2,3-b]acridine-7,14-dione (1047-16-1) on albino guinea pigs.When a 10% suspension of the material in water containing 1% of Duponol PT was applied to intact skin of 10 male albino guinea pigs, it produced mild irritation on five animals and none on the others. Applications of the same concentration to abraded skin were slightly more irritating. Challenge tests, following nine exposures of the 10% suspension to abraded skin and 2 weeks rest period, showed no sensitization potential. Therefore 5, 12-dihydroquino[2,3-b]acridine-7,14-dione (1047-16-1) was considered to be non sensitizer in albino guinea pigs.
Thus based on the above predictions on 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) as well as its read across substances and applying weight of evidence, it can be concluded that 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) is not a skin sensitizer. Thus comparing the above annotations with the criteria of CLP regulation, 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) can be considered as not classified for skin sensitization effects.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Thus comparing the above annotations with the criteria of CLP regulation, 1H-dibenzo[a,d][7]annulen-1-one (2222-33-5 ) can be considered as not classified for skin sensitization effects.
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