Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Octanols

Beckmann rearrangement of cvc7ohexanone oxime. M.p. 68-70 C, b.p. I39 C/12 mm. On healing it gives polyamides. Used in the manufacture of Nylon[6]. Cyclohexanone oxime is formed from cyclohexane and niirosyl chloride. U.S. production 1978 410 000 tonnes, capryl alcohol See 2-octanol. caiH Uc acid See oclanoic acid. [Pg.78]

Anotlier teclmique used for stmctural inference is dielectric dispersion in tlie frequency [25] or time [26] domains. The biopolymer under investigation must have a pennanent dipole moment p. It is first dissolved in a dielectrically inert solvent, e.g. octanol, which may be considered to bear some resemblance to a biological lipid membrane, and tlien tlie complex impedance i +j( is measured over a range of frequencies / typically from a... [Pg.2819]

Schwarz G and Savko P 1982 Structural and dipolar properties of the voltage-dependent pore former alamthicin in octanol/dioxane Biophys. J. 39 211-19... [Pg.2847]

The flic presented contains 11 data items. The header lines arc property names as used by CACTVS [64, 65], and arc sufficiently self-descriptive. For example, E NHDONORS is the number of hydrogen bond donor.s, E SM1LES" is the SMILES string representing the structure of sulfamidc, and E LOGP is the logP value (octanol/water partition coefficient) for this substance. [Pg.51]

The aim of the first example is to look for polychlorinated biphenyls (PCB) for which C-NMR spectra, measured in deuterochloroform, as well as the partition coefficients between 1-octanol and water arc known. Since it is not reliable to per-... [Pg.249]

The HYBOT descriptors were successfully applied to the prediction of the partition coefficient log P (>i--octanol/water) for small organic componnds with one acceptor group from their calculated polarizabilities and the free energy acceptor factor C, as well as properties like solubility log S, the permeability of drugs (Caco-2, human skin), and for the modeling of biological activities. [Pg.430]

Two approaches to quantify/fQ, i.e., to establish a quantitative relationship between the structural features of a compoimd and its properties, are described in this section quantitative structure-property relationships (QSPR) and linear free energy relationships (LFER) cf. Section 3.4.2.2). The LFER approach is important for historical reasons because it contributed the first attempt to predict the property of a compound from an analysis of its structure. LFERs can be established only for congeneric series of compounds, i.e., sets of compounds that share the same skeleton and only have variations in the substituents attached to this skeleton. As examples of a QSPR approach, currently available methods for the prediction of the octanol/water partition coefficient, log P, and of aqueous solubility, log S, of organic compoimds are described in Section 10.1.4 and Section 10.15, respectively. [Pg.488]

The hydrophobic constant r is a measure of the contribution of a substituent X to the lipophilidty of compound R-X compared with R-H. The constant representing the solvent/solvent system, analogously to Hammett s p constant for the reaction type, was arbitrarily set to 1 for octanol/water and thus does not appear in Eq. (7). The lipophilidty constant ti allows the estimation of log P values for congeneric series of compounds with various substituents (see Eq. (8)). [Pg.492]

A series of studies has been made by Yalkowsky and co-workers. The so-called general solubility equation was used for estimating the solubility of solid nonelectrolytes [17, 18]. The solubility log S (logarithm of solubility expressed as mol/L) was formulated with log P logarithm of octanol/water partition coefficient), and the melting point (MP) as shown in Eq. (11). This equation generally... [Pg.495]

The most widely used descriptor for the hydrophobicity term in toxicology is the distribution coefficient between octanol and water, log Pq< - (the environmental scientists would rather call it log The bulk solvent octanol is of course a... [Pg.505]

MW Molecular weight log Poll Octanol/watcr distribution coftfhciftnt... [Pg.508]

RESOLUTION OF sec.-OCTYL ALCOHOL (d/-2-OCTA-NOL) INTO ITS OPTICALLY ACTIVE COMPONENTS (d- AND f-2-OCTANOL)... [Pg.505]

An example of using one predicted property to predict another is predicting the adsorption of chemicals in soil. This is usually done by first predicting an octanol water partition coelficient and then using an equation that relates this to soil adsorption. This type of property-property relationship is most reliable for monofunctional compounds. Structure-property relationships, and to a lesser extent group additivity methods, are more reliable for multifunctional compounds than this type of relationship. [Pg.121]

The formation of 2.6-octadienol (27) by the reaction of 1,3-butadiene with water has attracted attention as a novel method for the commercial production of n-octanol, which has a considerable market. However, the reaction of water under the usual conditions is very sluggish. The addition of CO2 facilitates the telomerizdtion of water and 2,6-octadienol (27) is obtained as a major pro-duct[31]. In the absence of CO2, only 1,3,7-octatriene (7) is formed. Probably octadienyl carbonate is formed, which is easily hydrolyzed to give 27. A com-... [Pg.427]

The 3.8-nonadienoate 91, obtained by dimerization-carbonylation, has been converted into several natural products. The synthesis of brevicomin is described in Chapter 3, Section 2.3. Another royal jelly acid [2-decenedioic acid (149)] was prepared by cobalt carbonyl-catalyzed carbonylation of the terminal double bond, followed by isomerization of the double bond to the conjugated position to afford 149[122], Hexadecane-2,15-dione (150) can be prepared by Pd-catalyzed oxidation of the terminal double bond, hydrogenation of the internal double bond, and coupling by Kolbe electrolysis. Aldol condensation mediated by an organoaluminum reagent gave the unsaturated cyclic ketone 151 in 65% yield. Finally, the reduction of 151 afforded muscone (152)[123]. n-Octanol is produced commercially as described beforc[32]. [Pg.445]

Higher alcohols become more hydrocarbon like and less water soluble 1 Octanol for example dissolves to the extent of only 1 mL m 2000 mL of water As the alkyl chain gets longer the hydrophobic effect (Section 2 17) becomes more important to the point that It more than hydrogen bonding governs the solubility of alcohols... [Pg.150]

Which of these two opposite stereochemical possibilities operates was determined in experiments with optically active alkyl halides In one such experiment Hughes and Ingold determined that the reaction of 2 bromooctane with hydroxide ion gave 2 octanol having a configuration opposite that of the starting alkyl halide... [Pg.331]

Write the Fischer projection of the (-) 2 octanol formed from it by nucleophilic substitution with inversion of configuration... [Pg.332]

For example the hydrolysis of optically active 2 bromooctane in the absence of added base follows a first order rate law but the resulting 2 octanol is formed with 66% inversion of configuration... [Pg.343]

The same cannot be said about reactions with alkyl halides as substrates The conver Sion of optically active 2 octanol to the corresponding halide does involve a bond to the chirality center and so the optical purity and absolute configuration of the alkyl halide need to be independently established... [Pg.353]

The hydrolysis of sulfonate esters of 2 octanol is stereospecific and proceeds with complete inversion of configuration Write a structural formula that shows the stereochemistry of the 2 octanol formed by hydrolysis of an opti cally pure sample of (S) (+) 1 methylheptyl p toluenesulfonate identify the prod uct as / or S and deduce its specific rotation... [Pg.353]

Rearrangement can occur and the desired alkyl halide is sometimes accompanied by an isomeric halide An example is seen m the case of the secondary alcohol 2 octanol which yields a mixture of 2 and 3 bromooctane... [Pg.355]


See other pages where Octanols is mentioned: [Pg.38]    [Pg.285]    [Pg.286]    [Pg.492]    [Pg.492]    [Pg.588]    [Pg.684]    [Pg.685]    [Pg.711]    [Pg.335]    [Pg.115]    [Pg.323]    [Pg.428]    [Pg.165]    [Pg.182]    [Pg.319]    [Pg.332]    [Pg.333]    [Pg.333]    [Pg.343]    [Pg.353]    [Pg.355]   
See also in sourсe #XX -- [ Pg.182 ]




SEARCH



1- Octanol methyl ether

1-Azabicyclo -3-octanol

1-Octanol preparation

1-Octanol, dehydration

1-Octanol, temperature dependence

1-Octanol-water partition coefficient temperature dependence

1-Octanol/water distribution ratio

1-octanol, hydrodimerization

1-octanol-water partition coefficient relationships

2 Octanol

2 Octanol

2-Octanol catalytic hydrogenation

2-Octanol oxidation

2-Octanol solid support

2-Octanol, boiling points

2-methyl-4-octanol

2-octanol extraction

2-octanol extraction - stripping

2-octanol extraction conditions

2-octanol kinetic resolution

2-octanol nitrate

2-octanol process scheme

2-octanol properties

2.6- Dimethyl-2-octanol

3- Octanol 2-Octen

3.7- Dimethyl-l-octanol

4-Nitroso-l-octanol

Activity coefficient in octanol

Activity coefficients 1 -octanol-water partition coefficient correlations

Air-octanol partition constant

Alcohol capryl (octanol

Appendix 1-Octanol

Aqueous solution data octanol-water partition constant

Aromatic compounds octanol-water partition coefficients

Barbiturate octanol-water partition coefficient

Bicyclo octanol

Bicyclo octanols

Boron trifluoride 2-octanol reduction

Characteristic root index-1-octanol-water partition coefficient

Chromatographic parameter-1-octanol-water partition coefficient

Column method octanol-water partition

D,/-2-Octanol

D- and /-Octanol

DL-2-Octanol

Development octanol-water partition coefficient

Equilibrium-partitioning coefficient octanol-water

Estimation of octanol-water partition

Estimation of octanol-water partition coefficient

Group contribution models 1 -octanol-water partition coefficient

Hydrophobicity octanol-water partition coefficient

I-Octanol

Intrinsic Permeability-log Kp Octanol-Water Relationship

Ionic liquids -2-octanol

Is There Life After Octanol

Kow (octanol-water partition

L-Octanol

Lipid solubility, octanol-water partition

Lipid solubility, octanol-water partition coefficients

Lipophilicity octanol-water partition

Lipophilicity profiles octanol-water

M-Octanol

Membrane models octanol-water system

Membranes Octanol data

N-Octanol

N-Octanol-water

N-octanol /water partition coefficient

Neural networks octanol-water partition

Octane 2-Octanol

Octane number 2-Octanol

Octanol advantages

Octanol as a nonaqueous phase

Octanol as a reference model for non-aqueous phases

Octanol coefficients

Octanol dehydrogenase

Octanol nonaqueous phase

Octanol octanal

Octanol partition

Octanol partition coefficients

Octanol reaction

Octanol solution

Octanol standard system

Octanol structure

Octanol water-saturated, titration

Octanol, 213C spin-lattice relaxation

Octanol, partition coefficient measurements

Octanol, permeability coefficients

Octanol, surfactants

Octanol, water-saturated

Octanol-Air Partition Coefficient Koa

Octanol-Air Partitioning Coefficients

Octanol-air partition coefficient

Octanol-impregnated filters

Octanol-watcr partitioning

Octanol-water

Octanol-water and organic

Octanol-water coefficient

Octanol-water coefficient materials

Octanol-water distribution coefficient

Octanol-water interface

Octanol-water partition

Octanol-water partition bioaccumulation

Octanol-water partition coefficent

Octanol-water partition coefficient (Kow

Octanol-water partition coefficient coefficients

Octanol-water partition coefficient description

Octanol-water partition coefficient determination

Octanol-water partition coefficient factor

Octanol-water partition coefficient neural network prediction

Octanol-water partition coefficient shake-flask method

Octanol-water partition coefficient/log

Octanol-water partition congenerity

Octanol-water partition constant

Octanol-water partition ratio

Octanol-water partition toxicity

Octanol-water partitioning

Octanol-water purification

Octanol-water systems

Octanol-water systems partitioning

Octanol-water volume ratio

Octanol/aqueous shake flask

Octanol/water distribution

Octanol/water partition coefficient

Octanol/water partition coefficient chemicals

Octanol/water partition coefficient quantitative structure-activity

Octanol/water partition coefficients atomic approach

Octanol/water partition coefficients fragment approach

Octanol/water partition coefficients historical

Octanol/water partition coefficients methodology

Octanol/water partition coefficients overview

Octanol/water partition parameter

Octanol/water partitioning system partition coefficient characterization

Octanol: water partition coefficients lipophilicity/hydrophilicity

Octanol: water partition coefficients mixture toxicities

Octanols manufacture

Octanols, dielectric constants, dipole

Octanols, dielectric constants, dipole polarities

Odorant Octanol

PAHs, octanol-water partition coefficients

PARTITIONING INTO OCTANOL

Partition coefficient in octanol-water

Partition coefficients prediction from octanol

Permeability of Mucous Membranes and Octanol Water Partition Coefficients

Phenylmethylene)octanoL

Polarity, octanol-water partition coefficient

Polarizability-1 -octanol-water partition coefficient relationships

Pollutants octanol-water partition coefficients

Processes 1-octanol

Property-1-octanol-water partition coefficient correlations

R)-2-Octanol

S -2-octanol

Sensitizer from -2-octanol

Silica octanol

Sodium octanol

Solubility 1 -octanol-water partition coefficient correlations

Solubility octanol-water partition coefficients

Solubility properties octanol-water partition coefficients

Structure octanol-water partition coefficients

Structure of Octanol

Structure-1 -octanol-water partition coefficient relationships

Subject octanol-water partition

The Octanol-Water Partition Coefficient

The n-Octanol-Water Partition Constant

Versus octanol-water partition coefficient

Z-Octanol

© 2024 chempedia.info