3-methoxyacetophenone

Endpoint summary

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

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.

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

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.

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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