128-37-0 Usage
description
Butylated hydroxytoluene is a synthetic phenolic compound mainly used as an antioxidant and preservative in the food industry. It is used to prevent the lipid oxidation in oils and fat-containing foods.Butylated Hydroxytoluene?toxicity is generally considered as being low.Since Butylated Hydroxytoluene?is used in many near consumer products population wide exposure is expected.
Chemical Properties
Different sources of media describe the Chemical Properties of 128-37-0 differently. You can refer to the following data:
1. Butylated hydroxytoluene is white or light yellow crystal. Butylated Hydroxytoluene?has a melting point of 71°C, a boiling point of 265°C, a relative density of 1.048 (20/4°C), and a refractive index of 1.4859 (75°C). Solubility of Butylated Hydroxytoluene?at normal temperature: methanol 25, ethanol 25-26, isopropanol 30, mineral oil 30, acetone 40, petroleum ether 50, benzene 40, lard (40-50°C ) 40-50, corn oil and soybean oil 40-50. Butylated Hydroxytoluene?is insoluble in water, 10NaOH solution, glycerol, and propylene glycol. Butylated Hydroxytoluene?is odorless, odorless with good thermal stability.
2. BHA and BHT (butylated hydroxytoluene) are monohydric phenolic antioxidants that, prior to their introduction and acceptance
in the food industry, were used to protect petroleum against oxidative degumming. Butylated Hydroxytoluene has a very faint, musty, occasional cresylictype
odor. BHA and Butylated Hydroxytoluene are extensively used in foods as antioxidants. Most fats, oils and fat-containing foods are naturally susceptible
to rapid rancification and other oxidative reactions that produce compounds having objectionable taste and odor, making foods containing
them unpalatable. Lipid oxidation is autocatalytic and proceeds as a complex of chain reactions, the nature and speed of which vary with
the substrate, temperature, light, availability of oxygen and presence or absence of oxidation catalysts. Antioxidants like BHT act as “chain
breaks” in the autooxidation processes under the usual conditions of processing, storage and use of fat-containing foods (Burdock, 1997).
3. white crystalline solid
4. Butylated Hydroxytoluene is a white to pale yellow crystalline solid
or powder.
5. Butylated hydroxytoluene occurs as a white or pale yellow crystalline solid or powder with a faint characteristic phenolic odor.
Application from Literature
The applications of butylated hydroxytoluene (BHT) have been reported as following [1-9]:
? Butylated hydroxytoluene metabolites causing DNA strand breaks in cultured cells and DNA breaks between nucleosomes (a typical feature of apoptosis), which result in relieving inflammation.
? Inhibiting secretion, aggregation, and protein phosphorylation caused by protein kinase C activators at the process of the pre-incubation of aspirin-treated platelets.
? Inhibiting liver cancer formation induced by aflatoxin B1.
? As Michael receptor, butylated hydroxytoluene can react with uninucleophiles and proteins.
? Reaction of 2, 6-di-tert-butyl-4-methylphenol with fluorine (II) - benzophenone dianion complex.
? Food additive 2, 6-di-tert-butyl-4-methylphenol can promote acute lung toxicity and tumor growth in mice.
? Butylated hydroxytoluene can be used to prepare organoaluminum compound methylaluminum bis (2, 6-di-tert-butyl-4-alkylphenol oxide).
Uses
Different sources of media describe the Uses of 128-37-0 differently. You can refer to the following data:
1. Butylated hydroxytoluene has wide application, such as flavors, fragrances, biochemical reagents-other chemical reagents, chemical raw materials, organic chemical raw materials, biochemical, inorganic salts, antioxidants, food additives, feed additives, feed storage additives, aromatic hydrocarbons, bulk drugs and so on. As a phenolic antioxidant, butylated hydroxytoluene can inhibit lipid peroxidation and exhibit electrophilic quinone methyl ether toxicity mediated by oxidative metabolism. The BHT metabolites, 6-tert-butyl-2- [2 ′-(2′-hydroxymethyl) -propyl] -4-methylphenol, may cause lung damage in mice and promote tumor growth.
2. Because they prevent rancidity, antioxidants are of great interest to the food industry. For example, butylated hydroxytoluene (BHT), butylated hydroxyanisole (BHA), and EDTA are frequently used to preserve various foods, such as cheese or fried products. Butylated hydroxytoluene is a powerful inhibitor of lipid peroxidation, yet large doses of it can induce oxidative DNA damage and cancer development in the rat forestomach.
3. Butylated Hydroxytoluene is also known as butylated hydroxy toluene. It is an anti-oxidant that also has preservative and masking capabilities.
4. Butylated Hydroxytoluene (BHT) is an antioxidant that functions similarly to butylated hydroxyanisole (BHA) but is less stable at high temperatures. It is also termed 2,6-di-tert-butyl-para-cresol. See Butylated Hydroxyanisole.
5. Antioxidant 264 as general antioxidants is used widely in polymer materials, petroleum products and food processing industries. Antioxidant 264 is commonly used rubber antioxidant, heat, oxygen aging have some protective effect, but also can inhibit copper harm. This product does not change color, not pollution. Antioxidants 264 high solubility in oil, no precipitation, less volatile, non-toxic and non-corrosive.
6. Antioxidant for food, animal feed, petroleum products, synthetic rubbers, plastics, animal and vegetable oils, soaps. Antiskinning agent in paints and inks.
Mammalian physiology
Butylated Hydroxytoluene is a phenolic antioxidant. Butylated Hydroxytoluene can inhibit lipid peroxidation and cause lung injury in mice and promote tumor growth, which may be due to the metabolites of Butylated Hydroxytoluene, 6-tert-butyl-2-[2′-(2′-hydroxymethyl)-propyl]-4-Methylphenol. Butylated Hydroxytoluene metabolites have also been reported to cause DNA strand breaks in cultured cells and DNA breaks between nucleosomes (a typical feature of apoptosis). A single intraperitoneal injection of Butylated Hydroxytoluene (60mg/kg body weight) into rats caused a significant increase in nuclear DNA methyltransferase activity in the liver, kidney, heart, spleen, brain, and lung.
Occurrence
Not reported found naturally.
Definition
ChEBI: A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6.
Preparation
Butylated Hydroxytoluene is produced commercially by the alkylation of para-cresol with isobutylene. Butylated Hydroxytoluene is also produced by several western
European manufacturers, production/processing plants in Germany, France, the Netherlands, United Kingdom and Spain.
Production Methods
Prepared by the reaction of p-cresol with isobutene.
General Description
White crystalline solid.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
Phenols, such as 2,6-Di-tert-butyl-4-methylphenol, do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has Ka = 1.3 x 10^[-10]). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Nitrated phenols often explode when heated. Many of them form metal salts that tend toward detonation by rather mild shock. May react with oxidizing materials.
Health Hazard
2,6-Di-tert-butyl-p-cresol or Butylated Hydroxytoluene is of relatively low acute toxicity in
animals, and there is no evidence of either
acute or chronic effects among exposed
workers.
Fire Hazard
2,6-Di-tert-butyl-4-methylphenol is combustible.
Flammability and Explosibility
Nonflammable
Pharmaceutical Applications
Butylated hydroxytoluene is used as an antioxidant in
cosmetics, foods, and pharmaceuticals. It is mainly used to
delay or prevent the oxidative rancidity of fats and oils and to
prevent loss of activity of oil-soluble vitamins.
Butylated hydroxytoluene is also used at 0.5–1.0% w/w
concentration in natural or synthetic rubber to provide enhanced
color stability.
Butylated hydroxytoluene has some antiviral activity and has
been used therapeutically to treat herpes simplex labialis.
Biochem/physiol Actions
Butylated hydroxytoluene is a phenolic antioxidant. It has been shown to inhibit lipid peroxidation. It causes lung injury and promotes tumors in mice, but this may be due to a metabolite of Butylated Hydroxytoluene, 6-tert-butyl-2-[2′-(2′-hydroxymethyl)-propyl]-4-methylphenol. Metabolites of Butylated Hydroxytoluene have also been reported to induce DNA strand breaks and internucleosomal DNA fragmentation (a characteristic of apoptosis) in cultured cells. In rats, a single intraperitoneal injection of Butylated Hydroxytoluene (60 mg/kg body mass) results in a significant increase in nuclear DNA methyl transferase activity in the liver, kidneys, heart, spleen, brain and lungs. Incubation of alveolar macrophages with Butylated Hydroxytoluene?significantly reduced the level of TNF-α which may explain the mechanism by which this antioxidant reduces inflammation. Preincubation of aspirin-treated platelets with Butylated Hydroxytoluene inhibits the secretion, aggregation, and protein phosphorylation induced by protein kinase C activators. Butylated Hydroxytoluene was also found to inhibit the initiation of hepatocarcinogenesis by aflatoxin B1.
Contact allergens
This antioxidant is contained in food, adhesive glues,
industrial oils, and greases, including cutting fluids.
Sensitization seems very rare.
Carcinogenicity
The IARC has determined that there is limited evidence for the carcinogenicity of Butylated Hydroxytoluene?in experimental animals.Butylated Hydroxytoluene?has given primarily negative results in a large number of in vivo and in vitro genotoxic assays.No significant reproductive effects were observed in three-generation toxicity studies in mice administered up to 0.4% in the diet.6 The 2003 ACGIH threshold limit valuetime- weighted average (TLV-TWA) for 2,6-ditert- butyl-p-cresol is 2mg/m3.
Environmental Fate
The metabolites of Butylated Hydroxytoluene can bind to cellular macromolecules,
such as proteins and DNA, and cause toxicity.
Potential Exposure
DBPC is used as a food and feed additive, flavor, and packaging material; as an antioxidant in human foods and animal feeds. It is also used as an antioxidant to sta- bilize petroleum fuels, rubber and vinyl plastics.
Safety Profile
Poison by intraperitoneal andintravenous routes. Moderately toxic by ingestion. Anexperimental teratogen. Other experimental reproductiveeffects. A human skin irritant. A skin and eye irritant.Questionable carcinogen with experimental carcinogenicand.
Safety
Butylated hydroxytoluene is readily absorbed from the gastrointestinal tract and is metabolized and excreted in the urine mainly as glucuronide conjugates of oxidation products. Although there have been some isolated reports of adverse skin reactions, butylated hydroxytoluene is generally regarded as nonirritant and nonsensitizing at the levels employed as an antioxidant.
The WHO has set a temporary estimated acceptable daily intake for butylated hydroxytoluene at up to 125 μg/kg body-weight.
Ingestion of 4 g of butylated hydroxytoluene, although causing severe nausea and vomiting, has been reported to be nonfatal.
LD50 (guinea pig, oral): 10.7 g/kg
LD50 (mouse, IP): 0.14 g/kg
LD50 (mouse, IV): 0.18 g/kg
LD50 (mouse, oral): 0.65 g/kg
LD50 (rat, oral): 0.89 g/kg
storage
Exposure to light, moisture, and heat causes discoloration and a loss of activity. Butylated hydroxytoluene should be stored in a wellclosed container, protected from light, in a cool, dry place.
Shipping
UN2811 Toxic solids, organic, n.o.s., Hazard
Class: 6.1; Labels: 6.1-Poisonous materials, Technical
Name Required.
Purification Methods
Dissolve Butylated Hydroxytoluene in n-hexane at room temperature, then cool with rapid stirring, to -60o. The precipitate is separated, redissolved in hexane, and the process is repeated until the mother liquor is no longer coloured. The final product is stored under N2 at 0o [Blanchard J Am Chem Soc 82 2014 1960]. It has also been recrystallised from EtOH, MeOH, *benzene, n-hexane, methylcyclohexane or pet ether (b 60-80o), and is dried in a vacuum. [Beilstein 6 IV 3511.]
Toxicity evaluation
Butylated Hydroxytoluene is a white crystalline solid. It is insoluble in water and
alkalies; but soluble in most common organic solvents such
as alcohol and ether. Its melting point is 70°C, boiling point
is 265°C, flash point is 127°C, and specific gravity is 1.048
at 20°C.
Incompatibilities
Different sources of media describe the Incompatibilities of 128-37-0 differently. You can refer to the following data:
1. Butylated hydroxytoluene is phenolic and undergoes reactions
characteristic of phenols. It is incompatible with strong oxidizing
agents such as peroxides and permanganates. Contact with
oxidizing agents may cause spontaneous combustion. Iron salts
cause discoloration with loss of activity. Heating with catalytic
amounts of acids causes rapid decomposition with the release of the
flammable gas isobutene.
2. Contact with oxidizers may cause fire
and explosion hazard.
Regulatory Status
GRAS listed. Accepted as a food additive in Europe. Included in the
FDA Inactive Ingredients Database (IM and IV injections, nasal
sprays, oral capsules and tablets, rectal, topical, and vaginal
preparations). Included in nonparenteral medicines licensed in the
UK. Included in the Canadian List of Acceptable Non-medicinal
Ingredients.
Check Digit Verification of cas no
The CAS Registry Mumber 128-37-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,2 and 8 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 128-37:
(5*1)+(4*2)+(3*8)+(2*3)+(1*7)=50
50 % 10 = 0
So 128-37-0 is a valid CAS Registry Number.
InChI:InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
128-37-0Relevant articles and documents
Antioxidant Synergism Between Butylated Hydroxyanisole and Butylated Hydroxytoluene
Omura, Kanji
, p. 1565 - 1570 (1995)
Decay of the 2,6-di-tert-butyl-4-methylphenoxy radical in the presence of butylated hydroxyanisole (BHA) was investigated in 1,2-dimethoxyethane with or without triethylamine.BHT-radical was conveniently generated by dissociation of its unstable dimer in solution.The products were BHT, 3,3'-di-tert-butyl-5,5'-dimethoxy-2,2'-dihydroxybiphenyl (BHA-dimer), 2,6-di-tert-butyl-p-quinone methide (QM), 1,2-bis(3,5-di-tert-butyl-4-hydroxyphenyl)ethane, and 3,3',5,5'-tetra-tert-butyl-4,4'-stilbenequinone.The reaction without added triethylamine gave larger quantities of the last two products and BHA (recovery), whereas the reaction with it provided larger quantities of the first two products.The marked difference in the product distribution can be accounted for by a series of reactions including reversible dehydrogenation of BHA with BHT-radical, which generates 2-tert-butyl-4-methoxyphenoxy radical (BHA-radical) and BHT, reversible dimerization of BHA-radical, which affords an intermediary bis(cyclohexadienone), and spontaneous and base-catalysed prototropic rearrangement of the intermediate into BHA-dimer.Products of coupling between BHT-radical and BHA-radical were not obtained.BHA was found to undergo facile acid-catalyzed addition to QM, providing two isomeric bis(hydroxyphenyl)methanes.The results help to elucidate the mechanism of antioxidant synergism between BHA and BHT and may suggest that the synergism can be affected by base or acid. - Key words: Antioxidant synergism; butylated hydroxyanisole; butylated hydroxytoluene; effect of acid; effect of base; fate of phenoxy radicals involved.
Alkylation of p-cresol with tert-butyl alcohol using benign Bronsted acidic ionic liquid catalyst
Kondamudi, Kishore,Elavarasan, Pandian,Dyson, Paul J.,Upadhyayula, Sreedevi
, p. 34 - 41 (2010)
Novel and environmentally benign Bronsted acidic ionic liquids with SO3-H functionality were prepared using N-methyl imidazole, pyridine, triethylamine and 1,4-butanesultone as the source chemicals. The prepared ionic liquid catalysts were characterized by NMR and their catalytic activity in tert-butylation of p-cresol with tert-butyl alcohol (TBA) was investigated. The effects of reaction time, reaction temperature, reactant mole ratio and the recyclability of the catalysts on the conversion of p-cresol and selectivity to 2-tert-butyl-p-cresol (TBC) and 2,6-di-tert-butyl-p-cresol (DTBC) called butylated hydroxytoluene (BHT) were investigated. Lower alcohol to p-cresol mole ratios, lower ionic liquid to p-cresol ratio and temperature as low as 70 °C gave 80% conversion of p-cresol. The catalyst activity was found to be almost completely retained even after 5 recycles. Extended Arrhenius equation was used to calculate the rate constants for this reaction.
Bond Dissociation Enthalpy of α-Tocopherol and Other Phenolic Antioxidants
Lucarini, Marco,Pedulli, Gian Franco,Cipollone, Marta
, p. 5063 - 5070 (1994)
The equilibrium constants, K1, for the reaction between galvinoxyl and a series of phenolic antioxidants have been determined by means of EPR spectroscopy.With aroxyl radicals decaying at appreciable rates, K1 was obtained by performing kinetic analyses of the time dependence of the concentrations of the equilibrating radicals after mixing the reactants.In two cases the temperature dependence of K1 was also studied and the entropy change for the equilibration reaction was determined.Bond dissociation enthalpies, DH, of the ArO-H bond of the examined phenols were calculated by comparison with the known value of 2,4,6-tri-tert-butylphenol (81.24 kcal mol-1).A larger than expected DH value was found for probucol (81.03 kcal mol-1) and an explanation of this behavior was given in terms of the preferred conformation adopted by the para alkylthio group.The DH value of α-tocopherol (78.93 kcal mol-1) was found to be very close to that of the phenolic precursor of galvinoxyl (78.80 kcal mol-1) and somewhat larger than that of 2,6-di-tert-butyl-4-methoxyphenyl (77.61 kcal mol-1).
Identification of Degradation Products of Terbutol in Environmental Water from Golf Courses
Suzuki, Toshinari,Yaguchi, Kumiko,Ohnishi, Kazuo,Suga, Tetsuya
, p. 1712 - 1717 (1995)
Degradation products of terbutol (2,6-di-tert-butyl-4-methylphenyl N-methylcarbamate) in drainage and ground water from golf courses, on which terbutol had been applied as a herbicide, were identified by capillary GC/MS and reversed-phase HPLC. terbutol and 4-carboxy-, N-demethyl-, and 4-carboxy-N-demethylterbutol were detected in all water samples at concentrations of parts per billion levels.In addition, 4-(hydroxymethyl)- and 4-formylterbutol, 2,6-di-tert-butyl-4-methylphenol (BHT), and 4-(hydroxymethyl)-, 4-formyl-, and 4-carboxy-BHT were observed in some water samples at concentrations of parts per thousand levels.These results demonstrated that terbutol applied on golf courses was mainly degraded by N-demethylation, oxidation of the 4-methyl group, and hydrolysis of the carbamate ester linkage. Keywords:Terbutol; 2,6-di-tert-butyl-4-methylphenyl N-methylcarbamate; identification; degradation
Synthesis, characterization and investigation of catalytic activity of Cu1-xCoxFe2O4 nanocatalysts in t-butylation of p-cresol
Alamdari, Reza Fareghi,Hosseinabadi, Zahra,Khouzani, Masoud Farhadi
, p. 827 - 834 (2012)
In this work, tertiary butylation of p-cresol was carried out in the presence of Cu1-xCoxFe2O4 (x = 0 to 1) nanocatalysts by employing methyl-tert-butyl ether (MTBE) and tert-butyl alcohol (TBA) as alkylation agents. Effects of temperature, mole ratio, type and catalyst composition, time and solvent in reaction conditions were investigated. These nanocatalysts were synthesized using hydrothermal method. The characterization of these catalysts was investigated by means of X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Fourier Transform Infrared (FT-IR). These nanocatalysts can be recovered and recycled. A good correlation was found between the activity, in terms of p-cresol conversion and various product selectivities for this reaction, and also the acid-base properties of the catalysts. Nano-sized Cu0.5Co0.5Fe 2O4, in comparison to the other nanocatalysts discussed in this report is the most active nanocatalyst. The only product of this reaction is 2-t-butyl p-cresol with selectivity of 100% and p-cresol conversion is 70%. The possible mechanism for this reaction system was discussed based on the reaction results. The reaction mechanism proposed involves the interaction of phenoxide from phenol and the tert-butyl cation from isobutene on Cu 1-xCoxFe2O4. Indian Academy of Sciences.
Multi SO3H supported on carbon nanotubes: A practical, reusable, and regioselective catalysts for the tert-butylation of p-cresol under solvent-free conditions
Fareghi-Alamdari, Reza,Golestanzadeh, Mohsen,Zekri, Negar,Mavedatpoor, Zeinab
, p. 537 - 549 (2015)
The present study describes the synthesis, characterization, and catalytic activity of sulfonated multi-walled carbon nanotubes and sulfonated single-walled carbon nanotubes in the tert-butylation of p-cresol. The catalysts were prepared using a chemical and simple process and it characterized by scanning electron microscopy, Fourier transform infrared, and Raman spectroscopy, thermogravimetric analysis, and acid-base titration. The sulfonated multi-walled carbon nanotubes and sulfonated single-walled carbon nanotubes have been used as practical heterogeneous catalytic systems in the tert-butylation of p-cresol under solvent-free conditions. Sulfonated multi-walled carbon nanotubes with the highest total density of SO3H groups possessed high activity for p-cresol conversion and high selectivity than the sulfonated single-walled carbon nanotubes. This methodology offers some advantages of high selectivity, and high yields, easy work-up, solvent-free conditions, and reusable catalyst. Moreover, the catalytic system was used in scale-up under similar optimized reaction conditions.
Alkylation of Phenols with tert-Butanol Catalyzed by H-Form of Y Zeolites with a Hierarchical Porous Structure
Bayguzina,Makhiyanova,Khazipova,Khusnutdinov
, p. 1554 - 1559 (2019)
tert-Butyl-substituted phenols have been synthesized via the reaction of phenol, o-, m-, and p-cresols with tert-butanol under the action of CBr4-promoted Y-zeolites in the H-form with a hierarchical porous structure.
Hydrolysis of isobutylaluminum aryloxides studied by 1H NMR and quantum chemical methods
Faingol’d,Zharkov,Bravaya,Chernyak
, p. 1958 - 1965 (2016)
The results of 1H NMR and quantum chemical studies of hydrolysis of isobutylaluminum aryloxides are presented. According to the data of 1H NMR spectroscopy, the hydrolysis of monomeric diisobutylaluminum aryloxides (2,6-Bu2 t—C6H3O)AlBu2 i and (2,6-Bu2 t,4-Me—C6H2O)AlBu2 i occurs selectively at the Al—OAr bond to form the corresponding sterically bulky phenol and polyisobutylaluminoxane. At the molar ratios Al: H2O = 2, the formed sterically bulky phenol reacts slowly with diisobutylaluminum monoaryloxide to form isobutylaluminum diaryloxide. Dimeric aryloxide [(2-But—C6H4O)AlBu2 i]2 is not hydrolyzed under similar conditions. The quantum chemical calculations confirmed the experimental results: the hydrolysis at the Al—OAr bond has a lower energy barrier than that at the Al—C bond because of the formation of HH2O…OO?Ar hydrogen bonds.
Phenol-Phenoxyl Radical Equilibria by Electron Spin Resonance: are Radicals derived from Tocopherol and Analogues Exceptionally Stabilized?
Jackson, Richard A.,Hosseini, Kamran Mousavi
, p. 967 - 968 (1992)
The extra 'stabilization' of the 2,2,4,6,7,-pentamethyl-2,3-dihydrobenzofuran-5-oxyl radical compared with the 2,6-di-tert-butyl-4-methoxyphenoxyl radical is attributed to entropy differences between the parent phenols.
KINETICS OF THE REACTION OF 2,6-DI-t-BUTYLPHENOL WITH METHYL ACRYLATE IN THE PRESENCE OF POTASSIUM 2,6-DI-t-BUTYLPHENOLATE AND THE EFFECT OF PROTON-DONOR COMPONENTS ON THE MECHANISM OF THIS REACTION
Volod'kin, A. A.
, p. 877 - 883 (1991)
A kinetic scheme is proposed for the reaction of 2,6-di-t-butylphenol with methyl acrylate in the presence of potassium 2,6-di-t-butylphenolate.Rate constants have been calculated for the elementary stages which describe the mechanism of catalysis and the effect on the kinetic laws of the proton-donor components 2,6-di-t-butylphenol, water, and methanol.The kinetic scheme contains 30 components and includes 62 rate constants for the elementary stages, which were calculated by mathematical modeling of the kinetics of the process.The calculated results are compared with experimental data for the dependence of the rate of consumption of 2,6-di-t-butylphenol on the concentration of potassium 2,6-di-t-butylphenolate and on the concentrations of the proton-donor components.
