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EC number: 209-573-3 | CAS number: 586-37-8
- 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: in vivo (non-LLNA)
- 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
- Qualifier:
- according to guideline
- Guideline:
- other: Given below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Type of study:
- Buehler test
- Species:
- guinea pig
- Strain:
- Hartley
- Sex:
- male
- Details on test animals and environmental conditions:
- Supplier: Charles River France, Saint-Aubin lès Elbeuf, 76410 Cléon, France
Age and body weight at initiation of treatment: Approximately 8 weeks and 530 g ± 100 g
Environment and husbandry:
- Housed in wire mesh bottomed, stainless steel cages; space allocated at initiation of treatment: 2898 cm² x 20 cm (4 animals/cage maximum).
- Temperature: 22 ± 2 ° C
- Relative humidity: 40-70%
- Air flow: 10-12 changes/hour without recirculation
- Light cycle: 12/24 hours
Diet and water:
- Diet: complete commercial rodent diet (re. 114C - 4.5 mm - U.A.R.) ad libitum.
- Water supply: free access to tap water through automatic waterers.
Pre-treatment procedures:
- Stabilisation: at least 2 weeks before beginning treatment.
- Number of animals: 50 males.
- Number of animals/group: 20 males (main study) or 5 males (preliminary assay).
- Allocation to experimental groups : at random.
- Identification: ear tattoo with the identity number (main study) or mark with felt-tip pen (preliminary assay). - Route:
- epicutaneous, occlusive
- Vehicle:
- petrolatum
- Route:
- epicutaneous, occlusive
- Vehicle:
- petrolatum
- No. of animals per dose:
- 20 males
- Positive control substance(s):
- not specified
- Reading:
- 1st reading
- Group:
- test chemical
- Clinical observations:
- Not sensitizing
- Remarks on result:
- other: Reading: 1st reading. Group: test group. Clinical observations: Not sensitizing.
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The substance 3-methoxyacetophenone is estimated to be not sensitizing to the skin of guinea pig.
- Executive summary:
The skin sensitizing potential of 3-methoxyacetophenone is estimated using OECD QSAR toolbox version 3.3.The substance 3-methoxyacetophenone is estimated to be not sensitizing to the skin of guinea pig. Based on the above information the test substance3-methoxyacetophenonecan be classified as not sensitizing in accordance with CLP criteria.
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 ( not "f") ) ) and ("g" and ( not "h") ) ) and "i" ) and "j" ) and ("k" and "l" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Aryl AND Ether AND Ketone by Organic Functional groups
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Aryl AND Ether AND Ketone AND Overlapping groups by Organic Functional groups (nested)
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon [C] AND Carbonyl, aliphatic attach [-C(=O)-] AND Carbonyl, olefinic attach [-C(=O)-] AND Carbonyl, one aromatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA)
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Alkylarylether AND Aromatic compound AND Carbonyl compound AND Ether AND Ketone by Organic functional groups, Norbert Haider (checkmol)
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Non binder, without OH or NH2 group by Estrogen Receptor Binding
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Non binder, MW>500 OR Strong binder, OH group OR Very strong binder, OH group OR Weak binder, OH group by Estrogen Receptor Binding
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Not possible to classify according to these rules by DPRA Lysine peptide depletion
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Low reactive OR Low reactive >> Saturated di-ketones by DPRA Lysine peptide depletion
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as No superfragment by Superfragments ONLY
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis ONLY
Domain logical expression index: "k"
Parametric boundary:The target chemical should have a value of log Kow which is >= 1.13
Domain logical expression index: "l"
Parametric boundary:The target chemical should have a value of log Kow which is <= 3.34
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization
The skin sensitizing potential of 3-methoxyacetophenone is estimated using OECD QSAR toolbox version 3.3.The substance 3-methoxyacetophenone is estimated to be not sensitizing to the skin of guinea pig. Based on the above information the test substance3-methoxyacetophenonecan be classified as not sensitizing in accordance with CLP criteria.
Based on the QSAR prediction done using the Danish (Q)SAR Database, the skin sensitization was estimated to be negative on guinea pig and human for m-Methoxyacetophenone . Thus it can be concluded that the substance m-Methoxyacetophenone has negative skin sensitization effects and based on the CLP criteria for classification it can be classified as non hazardous to skin sensitization effects.
In other study by (INVENTORY MULTITIERED ASSESSMENT AND PRIORITISATION (IMAP) NICNAS, 2016) with similar substance (6358-31-2) was assessed in mice. A study investigated the sensitization potential of the chemical in accordance with OECD TG 429. Four female CBA mice were treated with the chemical at 0, 2.5, 5 and 10 % (w/v) in suspension. The animals did not show any clinical signs during the course of the study and no cases of mortality were observed. In this study, stimulation index (SI) values of 0.45, 1.02, and 2.18 were determined with the test item at concentrations of 2.5, 5, and 10 %, respectively. Under the conditions of this study, no EC3 value (estimated concentration to achieve an SI of 3) could be determined and the chemical was not considered to be a skin sensitizer.
In other study by (INVENTORY MULTITIERED ASSESSMENT AND PRIORITISATION (IMAP) NICNAS, 2016) with similar substance (6358-31-2) was assessed in female mice. In a skin sensitisation study was conducted in accordance with OECD TG 429. In this local lymph node assay, female CBA mice were topically administered the chemical at 0, 1, 2.5 and 5 % (w/v) in a mixture of acetone and olive oil. Mean SI values of 0.7, 0.6 and 1.4 were determined for the concentrations of 1, 2.5 and 5 %, respectively. Under the test conditions, the chemical was found not to act as a skin sensitiser. The chemical was not found to induce dermal sensitisation when tested according to OECD TG 429 (skin sensitisation—local lymph node assay).The chemical was not found to induce dermal sensitizer.
In other study by (EASTMAN KODAK CO, 1992) with similar substance (19) was assessed in guinea pig. Guinea pig maximisation test was conducted to evaluate skin sensitising potency of chemical Acetoacet-o-anisidide. Test chemical was applied on the skin of 10 guinea pigs. Skin sensitisation was not induced during the procedure. Hence, the chemical Acetoacet-o-anisidide was considered to be a non-skin sensitizer.
On the basis of available information for the target as well as its read across and applying weight of evidence approach, the test substance
3-methoxyacetophenonecan be considered as not sensitising to the skin, in accordance with the CLP criteria.
Migrated from Short description of key information:
The skin sensitizing potential of 3-methoxyacetophenone is estimated using OECD QSAR toolbox version 3.3.The substance
3-methoxyacetophenone is estimated to be not sensitizing to the skin of guinea pig.
Justification for selection of skin sensitisation endpoint:
The skin sensitizing potential of 3-methoxyacetophenone is estimated using OECD QSAR toolbox version 3.3.The substance 3-methoxyacetophenone is estimated to be not sensitizing to the skin of guinea pig. Based on the above information the test substance3-methoxyacetophenonecan be
classified as not
sensitizing in accordance with CLP criteria.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The test substance 3-methoxyacetophenonecan can be classified as "not sensitising" to the skin.
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