CAESAR models for developmental toxicity was written by Cassano, Antonio;Manganaro, Alberto;Martin, Todd;Young, Douglas;Piclin, Nadege;Pintore, Marco;Bigoni, Davide;Benfenati, Emilio. And the article was included in Chemistry Central Journal in 2010.Synthetic Route of C10H22O3 This article mentions the following:
Background: The new REACH legislation requires assessment of a large number of chems. in the European market for several endpoints. Developmental toxicity is one of the most difficult endpoints to assess, on account of the complexity, length and costs of experiments Following the encouragement of QSAR (in silico) methods provided in the REACH itself, the CAESAR project has developed several models. Results: Two QSAR models for developmental toxicity have been developed, using different statistical/math. methods. Both models performed well. The first makes a classification based on a random forest algorithm, while the second is based on an adaptive fuzzy partition algorithm. The first model has been implemented and inserted into the CAESAR online application, which is java-based software that allows everyone to freely use the models. Conclusions: The CAESAR QSAR models have been developed with the aim to minimize false negatives in order to make them more usable for REACH. The CAESAR online application ensures that both industry and regulators can easily access and use the developmental toxicity model (as well as the models for the other four endpoints). In the experiment, the researchers used many compounds, for example, rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate (cas: 2451-01-6Synthetic Route of C10H22O3).
rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate (cas: 2451-01-6) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Synthetic Route of C10H22O3
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts