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RIFM fragrance ingredient safety assessment, propanal diethyl acetal, CAS registry number 4744-08-5

: Api, A.M.; Belsito, D.; Botelho, D.; Bruze, M.; Burton, G.A.; Buschmann, J.; Dagli, M.L.; Date, M.; Dekant, W.; Deodhar, C.; Francis, M.; Fryer, A.D.; Jones, L.; Joshi, K.; Cava, S. La; Lapczynski, A.; Liebler, D.C.; O'Brien, D.; Patel, A.; Penning, T.M.; Ritacco, G.; Romine, J.; Sadekar, N.; Salvito, D.; Schultz, T.W.; Sipes, I.G.; Sullivan, G.; Thakkar, Y.; Tokura, Y.; Tsang, S.


Food and Chemical Toxicology : FCT 130 (2019), Supplement 1, Art.110588
ISSN: 0278-6915
ISSN: 1873-6351
Journal Article
Fraunhofer ITEM ()

There are insufficient toxicity data on the target material propanal diethyl acetal (CAS # 4744-08-5). Hence, in silico evaluation was conducted to determine read-across analogs for this material. Based on structural similarity, reactivity, metabolism data, physical–chemical properties, and expert judgment, analogs acetal (CAS # 105-57-7) and butane, 1,1'-[methylenebis(oxy)]bis- (CAS # 2568-90-3) were identified as read-across materials with sufficient data for toxicological evaluation of genotoxicity.