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EC number: 223-453-8 | CAS number: 3900-45-6
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: estimated data
- Principles of method if other than guideline:
- Prediction is done using the QSAR toolbox version 2.3
- GLP compliance:
- not specified
- Type of study:
- Draize test
- Species:
- guinea pig
- Strain:
- not specified
- Sex:
- male/female
- Route:
- epicutaneous, occlusive
- Vehicle:
- no data
- Reading:
- other: Skin sensetization
- Clinical observations:
- Negative
- Remarks on result:
- other: Reading: other: Skin sensetization. Clinical observations: Negative.
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The estimated skin sensetization test of 1-(6-methoxy-2-naphthyl)ethan-1-one for guinea pigs using QSAR toolbox version 2.3 is found to be not sensetizing. Based on this value and criteria of classifiction mentioned in new CLP regulation it can be concluded that 1-(6-methoxy-2-naphthyl)ethan-1-one is not sensitizing via dermal route.
- Executive summary:
The estimated skin sensetization test of 1-(6-methoxy-2-naphthyl)ethan-1-one for guinea pigs using QSAR toolbox version 2.3 is found to be not sensetizing. Based on this value and criteria of classifiction mentioned in new CLP regulation it can be concluded that 1-(6-methoxy-2-naphthyl) ethan-1-one is not sensitizing via dermal route.
Reference
The prediction was based on dataset comprised from the following descriptors: "Skin sensitisation"
Estimation method: Taking highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(("a" and "b" ) and ("c" and "d" ) )
Domain logical expression index: "a"
Similarity boundary:Target: C(C)(=O)c1cc2c(cc(OC)cc2)cc1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Similarity boundary:Target: C(C)(=O)c1cc2c(cc(OC)cc2)cc1
Threshold=80%,
Dice(Atom pairs)
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.8
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 3.06
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization:
Based on studies of target substance CAS NO 3900-45-6 and read across reviewed for skin sensitization from reliable sources having Klimisch rating 2 and 4considering the weight of evidence approach.
The summary of the results are presented below
Sr. No
End point
effect
Species
Remark
1
Skin sensitization
not sensitizing
guinea pig
Predicted data of target chemical
2
Skin sensitization
not sensitizing
human
Data is from DEPA for target chemical
3
Skin sensitization
not sensitizing
human
Data is from publication for CAS NO 93-08-3
4
Skin sensitization
mot sensitizing
Humans
Data is from DEPA for CAS NO 93-04-9
Based on results summarized in above table for the target chemical CAS NO 3900-45-6 and read across, it can be concluded that the substance is not sensitizing to the skin of human and guinea pig.Thus 1-(6-methoxy-2-naphthyl) ethan-1-one is considered to be not sensitizing to skin as per the criteria of CLP regulation.
Migrated from Short description of key information:
The substance 1-(6-methoxy-2-naphthyl)ethan-1-one was not found to be sensitizing to skin
Justification for selection of skin sensitisation endpoint:
The estimated skin sensetization test of 1-(6-methoxy-2-naphthyl)ethan-1-one for guinea pigs using QSAR toolbox version 2.3 is found to be not sensetizing. Based on this value and criteria of classifiction mentioned in new CLP regulation it can be concluded that 1-(6-methoxy-2-naphthyl) ethan-1-one is not sensitizing via dermal route.
Justification for classification or non-classification
The substance 1-(6-methoxy-2-naphthyl)ethan-1-one was not found to be sensitizing to skin as per CLP .
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