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EC number: 248-451-4
CAS number: 27425-55-4
The prediction was based on dataset comprised from the following descriptors: "Skin Sensitisation"Estimation method: Takes mode value from the 5 nearest neighboursDomain 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 ECOSARDomain 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)Oc2c1Threshold=50%, Dice(Atom centered fragments)Atom type; Count H attached; HybridizationDomain 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
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.
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
test material is not likely to classify as a skin sensitizer.
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.
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.
7-(diethylamino)-2-benzopyrone can be classified as non-sensitizer to
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