Salthammer, Tunga et al. published their research in Environmental Science & Technology in 2022 | CAS: 620-92-8

4,4′-Methylenediphenol (cas: 620-92-8) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.COA of Formula: C13H12O2

Quantum Chemical Calculation and Evaluation of Partition Coefficients for Classical and Emerging Environmentally Relevant Organic Compounds was written by Salthammer, Tunga;Grimme, Stefan;Stahn, Marcel;Hohm, Uwe;Palm, Wolf-Ulrich. And the article was included in Environmental Science & Technology in 2022.COA of Formula: C13H12O2 The following contents are mentioned in the article:

Octanol/water (KOW), octanol/air (KOA), and hexadecane/air (KHdA) partition coefficients are calculated for 67 organic compounds of environmental concern using computational chem. The extended CRENSO workflow applied here includes the calculation of extensive conformer ensembles with semiempirical methods and refinement through d. functional theory, taking into account solvation models, especially COSMO-RS, and thermostatistical contributions. This approach is particularly advantageous for describing large and nonrigid mols. With regard to KOW and KHdA, one can refer to many exptl. data from direct and indirect measurement methods, and very good matches with results from our quantum chem. workflow are evident. In the case of the KOA values, however, good matches are only obtained for the exptl. determined values. Larger systematic deviations between data computed here and available, nonexperimental quant. structure-activity relationship literature data occur in particular for phthalic acid esters and organophosphate esters. From a critical anal. of the coefficients calculated in this work and comparison with available literature data, we conclude that the presented quantum chem. composite approach is the most powerful so far for calculating reliable partition coefficients because all phys. contributions to the conformational free energy are considered and the structure ensembles for the two phases are generated independently and consistently. This study involved multiple reactions and reactants, such as 4,4′-Methylenediphenol (cas: 620-92-8COA of Formula: C13H12O2).

4,4′-Methylenediphenol (cas: 620-92-8) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.COA of Formula: C13H12O2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts