Modeling ready biodegradability of fragrance materials was written by Ceriani, Lidia;Papa, Ester;Kovarich, Simona;Boethling, Robert;Gramatica, Paola. And the article was included in Environmental Toxicology and Chemistry in 2015.Related Products of 6413-10-1 The following contents are mentioned in the article:
Here, quant. structure activity relations were developed for predicting ready biodegradability of ∼200 heterogeneous fragrance materials. Two classification methods, classification and regression tree (CART) and k-nearest neighbors (kNN), were applied to perform the modeling. The models were validated with multiple external prediction sets, and the structural applicability domain was verified by the leverage approach. The best models had good sensitivity (internal ≥80%; external ≥68%), specificity (internal ≥80%; external 73%), and overall accuracy (≥75%). Results from the comparison with BIOWIN global models, based on group contribution method, show that specific models developed in this study perform better in prediction than BIOWIN6, in particular for the correct classification of not readily biodegradable fragrance materials. Environ Toxicol Chem 2015;9999:1-8. © 2015 SETAC. This study involved multiple reactions and reactants, such as Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate (cas: 6413-10-1Related Products of 6413-10-1).
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate (cas: 6413-10-1) belongs to dioxole derivatives. Dioxoles, particularly fluorinated dioxoles, are used as co-monomers to make polymers that find use in forming protective coatings for chemical resistance. Dioxole functionalized metal-organic frameworks have also been recently reported.Related Products of 6413-10-1
Referemce:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem