Phenol physicochemical properties

Several preparation methods have been reported for the synthesis of TS-1. In this work, we have investigated the physicochemical properties of TS-1 samples synthesized by different preparation metiiods and tested these materials as catalysts for the oxidation of n-octane, 1-hexene and phenol using aqueous hydrogen peroxide (30 wt%) as oxidant at temperatures below 100 C. For comparison, Ti02 (anatase) and the octahedral titanium-containing silicate molecular sieve (ETS-10) (5) have been studied. The effect of the presence of aluminum and/or sodium on the catalytic activity of TS-1 is also discussed. 

Saarikoski, J., and M. Viluksela, Relation between physicochemical properties of phenolics and their toxicites and accumulation in fish , Ecotoxicol. Environ Safety, 6, 501-512 (1982). 

Some flawless analytical methods do exist but more are needed. Quantitative extraction of all the phenolic compounds from skins and seeds is not possible however we have developed a standard, reproducible procedure. Using a solvent with physicochemical properties similar to wine, one performs three cold extractions followed by two warm ones. This gives an estimate of the total phenols and an idea of their solubilities—an important technological factor. Our work, done in 1969-1972 involved the two principal red varieties of Bordeaux (Merlot and Cabemet-Sauvignon) from two vineyards. One ( ) is a Grand Cru of the Medoc region characterized by fast maturation, and the other (SC) matures more slowly (46, 47). 

Eugenol, like other phenolic compounds, is a structurally non-specific drug. The pharmacological action is not directly subordinated to chemical structure, except to the extent that structure affects physicochemical properties, as adsorption, solubility, pKa, and oxidation-reduction potential, factors which influence permeability, depolarization of the membrane and protein coagulation [34],... 

Kaiser, K.L.E., Dixon, D.G., Hodson, PV. (1984) QSAR studies on chlorophenols, chlorobenzenes and para-substituted phenols. In QSAR in Environmental Toxicology. Kaiser, K. L. E., Ed., pp. 189-206, D. Reidel Publishing Co., Dordrecht, The Netherlands. Kamlet, M.J., Doherty, R.M., Carr, P.W., Mackay, D., Abraham, M.H., Taft, R.W. (1988) Linear solvation energy relationship. 44. Parameter estimation rules that allow accurate prediction of octanol/water partition coefficients and other solubility and toxicity properties of polychlorinated biphenyls and polycyclic aromatic hydrocarbons. Environ. Sci. Technol. 22, 503-509. Kanazawa, J. (1981) Measurement of the bioconcentration factors of pesticides by fresh-water fish and their correlation with physicochemical properties of acute toxicities. Pest. Sci. 12, 417-424. 

Octanol is a hydrogen-bonding solvent, and thus it shows certain specificity in its ability to dissolve some components. For example, K, for phenol in hexane is only 0.11 while in octanol it is equal to 29.5. There were several attempts to rationalize solvent effects using solubility parameters [15], dielectric constant [16], and others, but none appear to be consistent. n-Octanol gives the most consistent results with other physicochemical properties and drug absorption in gastrointestinal tract. 

Herdan, J., Balaban, A.T., Stoica, G., Simon, Z., Mracec, M. and Niculescuduvaz, 1. (1991). Compounds with Potential Cancer Preventing Activity. 1. Synthesis, Physicochemical Properties and Quantum Chemical Indexes of Some Phenolic and Aminophenolic Antioxidants. Rev.Roum.Chim., 36,1147-1160. 

The pK a and therefore the physicochemical properties of a series of aminosulfonate-based compounds of phenol is correlated with the irreversible inhibition of the enzyme estrone sulfatase (ES). A strong correlation exists between the observed pK a and inhibitory activity. The stability of the phenoxide ion, as indicated by the acid dissociation constant, is an important factor in the irreversible inhibition of this enzyme. 

Sediment concentration data of major groups of organic contaminants -aliphatic and aromatic hydrocarbons, chlorinated pesticides, phenols, polychlorinated biphenyls and -dibenzodioxins - are summarized in Table 2-5 (the book by Moore Ramamoorthy contains information on physicochemical properties, production, uses and discharges, and on toxicity). 

The simplest form of a Free Wilson analysis is presented in eq. 192 [22], which describes the antibacterial activities of phenol and isomeric chlorophenols (51, R = H, Cl one to five chlorine atoms) vs. Staphylococcus aureus at least the linearity of the structure-activity relationship can be derived from eq. 192 on the other hand, although most probably lipophilicity is responsible for the variance in the biological activities, no Hansch equation can be derived, because each other physicochemical property of the chlorine atom will give identical results. 

Williams, P.L., Brooks, J.D., Inman, A.O., Monteiro-Riviere, N.A., and Riviere, J.E. (1994). Determination of physicochemical properties of phenol, p-nitrophenol, acetone and ethanol relevant to quantitating their percutaneous absorption in porcine skin. Research Communications in Chemical Pathology and Pharmacology, 83 61-75. 

To determine partial pressure of any organic compormd i is needed the information about its solubility or solubibty coefficient in ground water and nonpolar solution. These values for fresh water may be found in Handbook of physicochemical properties and environmental2006. For accormting for the effect of mineral salts of water solutions should be used equation (2.290). Solubility of nonpolar compormds declines with increase in salinity. For instance, Sechenov coefficient in normal conditions is equal for aniline 0.130, for phenol - 0.133, and for benzene and nitrobenzene - 0.166 (Sergeyeva, 1965). The saturated vapour pressure and solubility parameters for a number of organic compounds are listed in Table 2.32. As a rule, saturated vapour pressure is provided in mm Hg, more rarely in Pa or atmospheres (1 mm Hg = 133.3224 Pa or 1.3332-10 bar). 

Detailed mathematical studies of the relationship between uncoupling potency and physicochemical properties have been published for several classes of uncoupler, including phenols [81-89], arylhydrazones [90, 91], salicylanilides [81, 92, 93], pyrroles [94], benzimidazoles [81], coumarins [95, 96] and diarylamines [97-99]. Although the details of these analyses differ, there are several physicochemical parameters that are common to all and therefore appear to be the key properties required for uncoupling. These are acid strength, lipophilidty, and often a measure of the steric bulk of substituents adjacent to the acidic centre [94]. 

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