SDS of cas: 3395-91-3In 2019 ,《Quantitative structure-activity and quantitative structure-property relationship approaches as alternative skin sensitization risk assessment methods》 was published in Journal of Toxicology and Environmental Health, Part A: Current Issues. The article was written by Kim, Ji Yun; Kim, Min Kook; Kim, Kyu-Bong; Kim, Hyung Sik; Lee, Byung-Mu. The article contains the following contents:
This study aimed to predict skin sensitization potency of selected chems. by quant. analyzing their physicochem. properties by employing quant. structure-activity relationship (QSAR) and quant. structure-property relationship (QSPR) approaches as alternative risk assessment methods to animal testing. Correlations between effective concentration for a stimulation index of 3 (EC3) (%), the amount of a chem. required to elicit a threefold increase in lymph node cell proliferative activity (stimulation index, ≥3), were calculated using local lymph node assay (LLNA) and physicochem. properties of 212 skin sensitizers and 38 non-sensitizers were investigated. The correlation coefficients between m.p. (MP) and EC3 and between surface tension (ST) and EC3 were 0.65 and 0.69, resp. Thus, correlation coefficients between EC3 and MP, ST, and MP + ST reliably predicted the skin sensitization potential of the chems. with sensitivities of 72% (126/175), 70% (122/174), and 73% (116/158); specificities of 77% (27/35), 69% (22/32), and 81% (26/32); and accuracies of 73% (153/210), 70% (144/206), and 75% (142/190), resp. Our findings suggest that the EC3 value may be more accurately predicted using the ST values of chems. as opposed to MP values. Thus, information on MP and ST parameters of chems. might be useful for predicting the EC3 values as not only an alternative approach to animal testing, but as a risk assessment method for skin sensitization. In the experimental materials used by the author, we found Methyl 3-bromopropanoate(cas: 3395-91-3SDS of cas: 3395-91-3)
Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.SDS of cas: 3395-91-3
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary