2,6-Di-tert-Butylphenol supplier

Name
2,6-Di-tert-butylphenol
EINECS 204-884-0
CAS No. 128-39-2
Article Data87
CAS DataBase
Density 0.91 g/cm³
Solubility insoluble in water
Melting Point 34-37 °C(lit.)
Formula C₁₄H₂₂O
Boiling Point 251.4 °C at 760 mmHg
Molecular Weight 206.328
Flash Point 118.3 °C
Transport Information UN 3145 8/PG 3
Appearance white solid
Safety 26-36-61-29
Risk Codes 22-51/53-52/53
Molecular Structure
Hazard Symbols Xn,N
Synonyms Phenol,2,6-di-tert-butyl- (8CI);2,6-Bis(1,1-dimethylethyl)phenol;2,6-Bis(tert-butyl)phenol;2,6-Di-t-butylphenol;AN701;Agidol 0;Ethanox 4701;Ethanox 4733;Ethyl 701;Ethyl AN 701;Hitec 4701;Isonox 103;NSC 49175;Na Lube AO 242;T 502;T 502 (antioxidant);
PSA 20.23000
LogP 3.98720

Synthetic route

: 95932-29-9
tert-butyl (2,6-di-tert-butylphenyl)carbonate

: 128-39-2
2,6-di-tert-butylphenol

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane for 3h; Product distribution; Heating; deprotection;	89%

: 1421-49-4
3,5-Di-tert-butyl-4-hydroxybenzoic acid

: 128-39-2
2,6-di-tert-butylphenol

Conditions

Conditions	Yield
With decarboxylase at 25℃; for 15h; pH=6.5; Enzymatic reaction;	84.1%

: 1516-95-6
2,6-di-tert-butyl-anisole

: 128-39-2
2,6-di-tert-butylphenol

Conditions

Conditions	Yield
With lithium; ethylenediamine In tetrahydrofuran at -10℃; for 0.5h;	82%

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

A: 98-54-4
para-tert-butylphenol

B: 128-39-2
2,6-di-tert-butylphenol

C: 88-18-6
2-tert-Butylphenol

Conditions

Conditions	Yield
With aluminium(III) phenoxide In various solvent(s) at 130℃; for 2h;	A 9.4% B 1.8% C 70.4%

...Expand

: 1139-52-2
4-bromo-2,6-di-tert-butylphenol

: 121-46-0
bicyclo[2.2.1]hepta-2,5-diene

A: 128-39-2
2,6-di-tert-butylphenol

: exo-2,6-di-tert-butyl-4-(bicyclo[2.2.1]hept-5-en-2-yl)phenol

Conditions

Conditions	Yield
With ammonium formate; palladium diacetate; triphenylphosphine In N,N-dimethyl-formamide at 90℃; for 24h; Heck Reaction; Schlenk technique; Inert atmosphere;	A 20% B 68%

...Expand

: 115-11-7
isobutene

: 108-95-2
phenol

A: 98-54-4
para-tert-butylphenol

B: 128-39-2
2,6-di-tert-butylphenol

C: 6669-13-2
t-butyl phenyl ether

D: 88-18-6
2-tert-Butylphenol

E: 96-76-4
2,4-di-tert-Butylphenol

Conditions

Conditions	Yield
2-phenoxy-1,2-thialuminolane at 110℃; for 3h; Product distribution; Mechanism; other catalysts, other time, other temperature;	A 1.23% B 4.97% C 0.8% D 66.67% E 2.37%

...Expand

: 115-11-7
isobutene

: 108-95-2
phenol

A: 128-39-2
2,6-di-tert-butylphenol

B: 6669-13-2
t-butyl phenyl ether

C: 88-18-6
2-tert-Butylphenol

D: 96-76-4
2,4-di-tert-Butylphenol

Conditions

Conditions	Yield
2-phenooxy-1,2-thialuminolane at 110℃; for 3h; Further byproducts given;	A 4.97% B 0.8% C 66.67% D 2.37%

...Expand

: C23H26N2*BF4(1-)*H(1+)

: 24676-69-5
potassium 2,6-di-tert-butylphenolate

A: 128-39-2
2,6-di-tert-butylphenol

B: 4-(bis(1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)-methyl)-2,6-di-tert-butylphenol

Conditions

Conditions	Yield
Stage #1: C23H26N2BF4(1-)H(1+); potassium 2,6-di-tert-butylphenolate In dimethyl sulfoxide for 0.0166667h; Stage #2: With ammonium hydroxide In dimethyl sulfoxide pH=10;	A 26% B 64%

...Expand

: 124-38-9
carbon dioxide

: 1516-95-6
2,6-di-tert-butyl-anisole

A: 128-39-2
2,6-di-tert-butylphenol

B: 1014-60-4
1,3-di-tert-butylbenzene

C: 253584-86-0
2,6-di-tert-butylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 2,6-di-tert-butyl-anisole With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran at 20℃; for 1.55h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran for 0.5h; Heating;	A 7% B 30% C 63%

...Expand

: 950-57-2
4-bromo-2,6-di-tert-butyl-2,5-cyclohexadienone

A: 128-39-2
2,6-di-tert-butylphenol

B: 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone

C: 2455-14-3
3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone

D: 40084-31-9
2,6-Di-tert-butyl-4-iodophenol

E: 1139-52-2
4-bromo-2,6-di-tert-butylphenol

F: 489-01-0
2,6-Di-t-butyl-4-methoxyphenol

Conditions

Conditions	Yield
With iodine In methanol; water at 35℃; for 0.0833333h; Product distribution;	A 5% B 18% C 7% D 1% E 62% F 6%

...Expand

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

A: 98-54-4
para-tert-butylphenol

B: 128-39-2
2,6-di-tert-butylphenol

C: 88-18-6
2-tert-Butylphenol

D: 96-76-4
2,4-di-tert-Butylphenol

Conditions

Conditions	Yield
With carbon tetrabromide at 175℃; for 6h; Sealed tube;	A 33% B 3% C 9% D 49%
With 3-methyl-1-(4-sulfobutyl)imidazol-3-ium methanesulfonate at 70℃; for 2h; Temperature; Sealed tube;
With 1-(4-sulfonic acid)butylpyridinium methane sulfonate at 80℃; for 2h; Reagent/catalyst; Sealed tube;
With N-(4-sulfonic acid)butyl triethylammonium methane sulfonate at 80℃; for 2h; Catalytic behavior; Kinetics; Temperature; Reagent/catalyst; Sealed tube;

...Expand

: 507-20-0
tertiary butyl chloride

: 4518-00-7, 51317-52-3, 23658-96-0
ortho-isobornylphenol

A: 128-39-2
2,6-di-tert-butylphenol

B: 2,4-di-tert-butyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol

C: 2-tert-butyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol

D: 2-tert-butyl-6-(2,3,3-trimethylbicyclo[2.2.1]hept-5-yl)phenol

Conditions

Conditions	Yield
With montmorillonite KSF In dichloromethane for 5h; Reflux;	A 7% B 32% C 48% D n/a

...Expand

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

A: 98-54-4
para-tert-butylphenol

B: 128-39-2
2,6-di-tert-butylphenol

C: 88-18-6
2-tert-Butylphenol

D: 96-76-4
2,4-di-tert-Butylphenol

E: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
With carbon tetrabromide at 150℃; for 6h; Sealed tube;	A 9% B 10% C 20% D 39% E 14%
With carbon tetrabromide at 175℃; for 6h; Sealed tube;	A 6% B 13% C 16% D 34% E 25%
With tetrachloromethane at 175℃; for 6h; Sealed tube;	A 17% B 4% C 21% D 23% E 7%
With Bromoform at 175℃; for 6h; Sealed tube;	A 21% B 1% C 21% D 22% E 1%

...Expand

: 88-26-6
3,5-di-tert-butyl-4-hydroxybenzyl alcohol

: 24481-37-6
2-pentyl-4,6-bis-trichloromethyl-[1,3,5]triazine

A: 128-39-2
2,6-di-tert-butylphenol

B: 118-82-1
4,4'-Methylenebis(2,6-di-tert-butylphenol)

C: 119294-34-7
2,6-Di-tert-butyl-4-(4-pentyl-6-trichloromethyl-[1,3,5]triazin-2-yloxymethyl)-phenol

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane at 60℃; for 4h;	A 0.55 g B 0.35 g C 38%

...Expand

: 88-26-6
3,5-di-tert-butyl-4-hydroxybenzyl alcohol

A: 128-39-2
2,6-di-tert-butylphenol

B: 118-82-1
4,4'-Methylenebis(2,6-di-tert-butylphenol)

C: 119294-35-8
2,6-Di-tert-butyl-4-(4-phenyl-6-trichloromethyl-[1,3,5]triazin-2-yloxymethyl)-phenol

Conditions

Conditions	Yield
With 2-phenyl-4,6-bis-trichloromethyl-[1,3,5]triazine; triethylamine In 1,4-dioxane at 60℃; for 4h;	A 0.55 g B 0.35 g C 32%

...Expand

: 88-26-6
3,5-di-tert-butyl-4-hydroxybenzyl alcohol

: 24504-22-1
2-phenyl-4,6-bis-trichloromethyl-[1,3,5]triazine

A: 128-39-2
2,6-di-tert-butylphenol

B: 118-82-1
4,4'-Methylenebis(2,6-di-tert-butylphenol)

C: 119294-35-8
2,6-Di-tert-butyl-4-(4-phenyl-6-trichloromethyl-[1,3,5]triazin-2-yloxymethyl)-phenol

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane at 60℃; for 4h;	A 0.55 g B 0.35 g C 32%

...Expand

: 13637-68-8
dioxomolybdenum(VI) dichloride

: 55894-67-2
lithium 2,6-di-tert-butylphenolate

A: MoO2(O-2,6-t-Bu2C6H3)2*HO-2,6-t-Bu2C6H3

B: 128-39-2
2,6-di-tert-butylphenol

C: 2455-14-3
3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone

Conditions

Conditions	Yield
In acetonitrile MoO2Cl2 soln. in CH3CN was added to LiO(2,6-t-Bu2C6H3) soln. in CH3CN and mixt. was stirred for 1 h; solvent was removed in vacuo, solved in pentane, filtered and placed in-35°C freezer for 2 days; elem. anal.;	A 31% B n/a C n/a

...Expand

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 108-95-2
phenol

A: 106-44-5
p-cresol

B: 98-54-4
para-tert-butylphenol

C: 2409-55-4
2-tert-Butyl-4-methylphenol

D: 128-39-2
2,6-di-tert-butylphenol

E: 88-18-6
2-tert-Butylphenol

F: 96-76-4
2,4-di-tert-Butylphenol

Conditions

Conditions	Yield
C24H20ClNbO4 at 140℃; for 3h; Product distribution; Rate constant; Mechanism; also with 2-methylphenol, other catalysts, other products;	A 14% B 8% C 30.5% D 2% E 20% F 15%

...Expand

: 955-02-2
2,6-di-tert-butyl-4-diazo-2,5-cyclohexadien-1-one

A: 128-39-2
2,6-di-tert-butylphenol

B: 2455-14-3
3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone

C: 128-38-1
4,4'-dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl

D: 2,6-di-tert-butyl-4-pyridiniophenolate

Conditions

Conditions	Yield
With cyclohexane In pyridine for 3h; Heating; Further byproducts given. Title compound not separated from byproducts;	A n/a B n/a C n/a D 29%

...Expand

: 64-17-5
ethanol

: 120-80-9
benzene-1,2-diol

A: 128-39-2
2,6-di-tert-butylphenol

B: 2934-05-6
2,4-diisopropylphenol

C: 876-20-0
2,5-diethyl phenol

Conditions

Conditions	Yield
With perrhenic acid anhydride at 320℃; for 6h; Inert atmosphere; Sealed tube;	A 5.8% B 10.1% C 5.2%

...Expand

: 106040-32-8
((CH3)3SiCH2)2Ta(CSi(CH3)3)2Ta(OC6H3(C4H9)2)2

A: 75-76-3
tetramethylsilane

B: 83830-98-2
Ta(OC6H3-t-BuCMe2CH2)2(CH2SiMe3)

C: 128-39-2
2,6-di-tert-butylphenol

Conditions

Conditions	Yield
In (2)H8-toluene heated at 150°C in a sealed NMR tube for 5-10 h; not isolated ((1)H NMR data); yield of the cyclometallated complex increases when thermolysis is carried out in the presence of 2 or more equiv of 2,6-t-Bu2C6H3OH;	A n/a B 5% C n/a

...Expand

: 4096-72-4
4-chloro-2,6-di-tert-butylphenol

: 128-39-2
2,6-di-tert-butylphenol

Conditions

Conditions	Yield
With sodium hydroxide; aluminum nickel; ethanol

: 1139-52-2
4-bromo-2,6-di-tert-butylphenol

: 128-39-2
2,6-di-tert-butylphenol

Conditions

Conditions	Yield
With sodium hydroxide; aluminum nickel; ethanol
With ammonia; potassium

: 115-11-7
isobutene

: 108-95-2
phenol

: 128-39-2
2,6-di-tert-butylphenol

Conditions

Conditions	Yield
With aluminium(III) phenoxide
With aluminium(III) phenoxide

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

: 128-39-2
2,6-di-tert-butylphenol

Conditions

Conditions	Yield
With aluminium(III) phenoxide

: 88-18-6
2-tert-Butylphenol

: 732-26-3
2,4,6-tri-tert-butylphenoxol

A: 128-39-2
2,6-di-tert-butylphenol

B: 96-76-4
2,4-di-tert-Butylphenol

Conditions

Conditions	Yield
sulfuric acid at 110℃; for 4h; Equilibrium constant; Product distribution; other temperature, other time;
at 80 - 180℃; Equilibrium constant;

...Expand

: 88-18-6
2-tert-Butylphenol

A: 128-39-2
2,6-di-tert-butylphenol

B: 108-95-2
phenol

Conditions

Conditions	Yield
sulfuric acid at 180℃; for 7h; Equilibrium constant; Product distribution; other catalysis, other temperature, other time;

: 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone

A: 128-39-2
2,6-di-tert-butylphenol

B: 2455-14-3
3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone

Conditions

Conditions	Yield
With oxygen; N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine In methanol; water at 35℃; Equilibrium constant; Mechanism; Rate constant; other catalysts are also investigated;

: 2455-14-3
3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone

A: 128-39-2
2,6-di-tert-butylphenol

B: 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone

Conditions

Conditions	Yield
With oxygen; N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine In methanol; water at 35℃; Equilibrium constant; Mechanism; Rate constant; other catalysts are also investigated;

: 128-39-2
2,6-di-tert-butylphenol

: 2455-14-3
3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone

Conditions

Conditions	Yield
With potassium hydroxide; iodine In methanol for 0.25h;	100%
With 2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate; potassium hydrogencarbonate In water; acetonitrile for 1h;	100%
With oxygen; pyridine; copper(I) In methanol at 60℃; for 6h;	100%

: 128-39-2
2,6-di-tert-butylphenol

: 40084-31-9
2,6-Di-tert-butyl-4-iodophenol

Conditions

Conditions	Yield
With bis(2,4,6-trimethylpyridine)iodine(I) hexafluorophosphate In dichloromethane for 0.0833333h; Ambient temperature;	100%
With tetrabutylammomium bromide; iodine; oxygen; copper(II) nitrate In water at 80℃; under 760.051 Torr; for 6h; Green chemistry; regioselective reaction;	89%
With aluminum oxide; periodic acid In 1,4-dioxane for 3h; Heating;	78%

: 128-39-2
2,6-di-tert-butylphenol

: 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone

Conditions

Conditions	Yield
With pyridine; oxygen; Co(babp) In toluene at 20℃; under 760 Torr; for 24h; Mechanism; Product distribution; other reaction temperatures and times, without solvent, with 4-methylpyridine, 4-(dimethylamino)pyridine or 1-azabicyclo<2.2.2>octane, re-use of catalyst;	100%
With pyridine; oxygen; Co(babp) In toluene at 20℃; under 760 Torr; for 24h;	100%
With cobalt(II); oxygen In N,N-dimethyl-formamide for 1h;	100%

: 128-39-2
2,6-di-tert-butylphenol

: 187806-29-7
[6-Hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-5-yl]methyl bromide

: 5a-(3,5-di-tert-butyl-4-hydroxy-phenyl)-α-tocopherol

Conditions

Conditions	Yield
With hydrogen bromide; zinc(II) chloride In hexane; dichloromethane at 50℃; for 4h;	100%

: 159281-61-5
Sm(OC(=C6H6)Ph)2(O-C6H2-(t)Bu2-2,6-Me-4)(hexamethylphosphoramide)2

: 128-39-2
2,6-di-tert-butylphenol

: 159281-62-6
Sm(OC(=C6H6)Ph)2(O-C6H3-(t)Bu2-2,6)(hexamethylphosphoramide)2

Conditions

Conditions	Yield
In benzene Ar or N2-atmosphere; 2 equivs. of phenol;	100%

: 128-39-2
2,6-di-tert-butylphenol

: 1222630-25-2
C14H21Cl3OTe

Conditions

Conditions	Yield
With tellurium tetrachloride In tetrachloromethane at 0 - 20℃; for 2h;	100%
With tellurium tetrachloride In tetrachloromethane at 0 - 20℃; for 2h;

: 128-39-2
2,6-di-tert-butylphenol

: (N-((6E)-6-(butylimino-κN)-1-cyclohexen-1-yl)-2,6-bis(1-methylethyl)benzenaminato-κN)trimethylhafnium

: (2,6-bis(1,1-dimethylethyl)phenolate)(N-((6E)-6-(butylimino-kappaN)-1-cyclohexen-1-yl)-2,6-bis(1-methylethyl)benzenaminato-kappaN)dimethyl-hafnium

Conditions

Conditions	Yield
In benzene-d6 at 24℃; for 18h;	100%

: 128-39-2
2,6-di-tert-butylphenol

: [N-[6-(butylimino-κN)-1-cyclohexen-1-yl]-2,6-bis(1-methylethyl)benzenaminato-κN]trimethylzirconium

: [2,6-Bis(1,1-dimethylethyl)phenolato][N-[6-(butylimino-κN)-1-cyclohexen-1-yl]-2,6-bis(1-methylethyl)benzenaminato-κN]dimethylzirconium

Conditions

Conditions	Yield
In hexane at 20℃;	100%

: 128-39-2
2,6-di-tert-butylphenol

: [N-[6-(butylimino-κN)-1-cyclohexen-1-yl]-2,6-bis(1-methylethyl)benzenaminato-κN]trimethylhafnium

: [2,6-Bis(1,1-dimethylethyl)phenolato][N-[6-(butylimino-κN)-1-cyclohexen-1-yl]-2,6-bis(1-methylethyl)benzenaminato-κN]dimethylhafnium

Conditions

Conditions	Yield
In toluene at 20℃; for 18h;	100%

: 2290-65-5
trimethylsilyl isothiocyanate

: 128-39-2
2,6-di-tert-butylphenol

: 3957-71-9
3,5-di-tert-butyl-4-hydroxyphenylthiocyanate

Conditions

Conditions	Yield
With 1-chloro-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one In dichloromethane at 20℃; for 1h;	100%

: 128-39-2
2,6-di-tert-butylphenol

: 3849-01-2
2,4,6-tris(chloromethyl)-mesitylene

: 1709-70-2
1,3,5-trimethyl-2,4,6-tris-(3,5-di-tert-butyl-4-hydroxybenzyl)benzene

Conditions

Conditions	Yield
With hydrogenchloride; 15-crown-5; 3,4,7,8-Tetramethyl-o-phenanthrolin; cadmium(II) iodide; ytterbium(III) triflate In tetrachloromethane; water at 50℃; for 10h; Catalytic behavior; Concentration; Reagent/catalyst; Temperature; Solvent;	99.5%

: 128-39-2
2,6-di-tert-butylphenol

: 128-38-1
4,4'-dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl

Conditions

Conditions	Yield
Stage #1: 2,6-di-tert-butylphenol With oxygen In tert-butyl alcohol at 70℃; under 760.051 Torr; for 18h; Green chemistry; Stage #2: With hydrogen In tert-butyl alcohol at 60℃; under 760.051 Torr; for 4h; Green chemistry;	99%
With CuCl(OH)*TMEDA In dichloromethane at 20℃; for 2h;	96%
Stage #1: 2,6-di-tert-butylphenol In dichloromethane at 20℃; for 2h; Stage #2: With sodium dithionite In ethanol for 2h; Heating;	96%

: 128-39-2
2,6-di-tert-butylphenol

: 24676-69-5
potassium 2,6-di-tert-butylphenolate

Conditions

Conditions	Yield
With potassium hexamethylsilazane In tetrahydrofuran at 20℃; for 15h;	99%
With potassium tert-butylate In ethanol for 0.25h;	92%
With potassium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene for 5h; Solvent; Reflux; Inert atmosphere;	88.5%
With potassium hydroxide; potassium tert-butylate

: 128-39-2
2,6-di-tert-butylphenol

: 292638-85-8
acrylic acid methyl ester

: 6386-38-5
methyl 3-(4-hydroxy-3,5-di-tert-butyl)phenylpropanoate

Conditions

Conditions	Yield
Stage #1: 2,6-di-tert-butylphenol With tri-n-butyltin acetate; zinc(II) carbonate Inert atmosphere; Heating; Stage #2: acrylic acid methyl ester at 70 - 90℃; for 1.5h; Inert atmosphere;	99%
With potassium tert-butylate 1) t-BuOH, 2) water, 116 deg C, 2 h; Yield given. Multistep reaction;
With potassium tert-butylate; water Mechanism; Rate constant; 1) t-BuOH, 2) 116 deg C; inhibiting effect of water;

: 811-98-3
d(4)-methanol

: 128-39-2
2,6-di-tert-butylphenol

: (4-(2)H)-2,6-Di-tert-butylphenol

Conditions

Conditions	Yield
With sodium methoxide-d3 at 50℃; for 24h; Methylation; Substitution;	99%

: 128-39-2
2,6-di-tert-butylphenol

: 882070-98-6
(salen(tBu,tBu)Sc(N(SiHMe2)2)

: 1131005-40-7
(N,N'-bis(3,5-bis(tert-butyl)-2-oxy-benzylidene)-1,2-ethanediamine)(2,6-bis(tert-butyl)phenolato)scandium(III)

Conditions

Conditions	Yield
In hexane byproducts: HN(SiH(CH3)2)2; under Ar; phenol deriv. added to soln. of Sc complex in hexane, mixt. stirred for 2 h; evapd. under vac., crystd. from toluene; elem. anal.;	99%

: 128-39-2
2,6-di-tert-butylphenol

: [Sc(C6H10(NCHC6H2(C(CH3)3)2O)2)(N(SiH(CH3)2)2)]

: (N,N'-bis(3,5-bis(tert-butyl)-2-oxo-benzylidene)-(1R,2R)-1,2-diaminocyclohexane)(2,6-bis(tert-butyl)phenolato)scandium(III)

Conditions

Conditions	Yield
In hexane byproducts: HN(SiH(CH3)2)2; under Ar; phenol deriv. added to soln. of Sc complex in hexane, mixt. stirred for 2 h; evapd. under vac., crystd. from toluene; elem. anal.;	99%

: 128-39-2
2,6-di-tert-butylphenol

: 728-87-0
4,4'-Dimethoxybenzhydrol

: 13391-91-8
4',4''-Dimethoxy-3,5-di-tert.-butyl-4-hydroxy-triphenylmethan

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate In 1,2-dichloro-ethane at 60℃; for 4h; Green chemistry;	99%

: 128-39-2
2,6-di-tert-butylphenol

: 6-bromo-2-pyrrolidinobenzaldehyde

: C25H32BrNO

Conditions

Conditions	Yield
Stage #1: 2,6-di-tert-butylphenol; 6-bromo-2-pyrrolidinobenzaldehyde With piperidine In toluene at 120℃; for 12h; Stage #2: In ethanol at 25℃; for 0.05h; Time;	99%

: 128-39-2
2,6-di-tert-butylphenol

: 58851-58-4
2,4-bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide

: 126551-81-3
bis(3,5-di-t-butyl-4-hydroxyphenyl)phosphinodithioic acid

Conditions

Conditions	Yield
at 160℃;	98.5%

: 91-01-0
1,1-Diphenylmethanol

: 128-39-2
2,6-di-tert-butylphenol

: 13145-54-5
3,5-di-tert-butyl-4-hydroxyphenyldiphenylmethane

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate In 1,2-dichloro-ethane at 60℃; for 8h;	98%
With tris(pentafluorophenyl)borate In 1,2-dichloro-ethane at 60℃; for 4h; Green chemistry;	95%
With sulfuric acid In acetic acid

: 128-39-2
2,6-di-tert-butylphenol

: 25679-39-4
3,5-di-tert-butyl-4-hydroxybenzenesulfonic acid

Conditions

Conditions	Yield
With sulfur trioxide In nitromethane at 0℃; for 0.5h; Product distribution;	98%

: 128-39-2
2,6-di-tert-butylphenol

: 1,1'-bis(4-oxo-3,5-di-t-butylcyclohexa)dienylidene

Conditions

Conditions	Yield
With oxygen; manganese(II); iron(III); magnesium oxide; copper In benzene for 24h; Product distribution; Ambient temperature;	98%
With oxygen; manganese; magnesium oxide In benzene for 24h; Ambient temperature;	98%
With manganese(III) triacetate dihydrate; sodium hydroxide In water; acetonitrile at 25℃; for 4h; Reagent/catalyst; Solvent; Time;	94%

: 54974-07-1
phthalimidesulfenyl chloride

: 128-39-2
2,6-di-tert-butylphenol

: N-(3,5-Di-tert-butyl-4-hydroxyphenylthio)phthalimide

Conditions

Conditions	Yield
In chloroform at 20℃; Substitution;	98%

: 128-39-2
2,6-di-tert-butylphenol

: 885-77-8
4,4'-dimethylbenzhydrol

: 3,5-ditertiary-butyl-4-hydroxyphenyldi-p-tolylmethane

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate In 1,2-dichloro-ethane at 60℃; for 4h; Green chemistry;	98%
With sulfuric acid; acetic acid

: 128-39-2
2,6-di-tert-butylphenol

: 102990-14-7
1-(4-chlorophenyl)-3-phenylprop-2-yn-1-ol

: 2,6-di-tert-butyl-4-[1-(4-chlorophenyl)-3-phenyl-2-propynyl]phenol

Conditions

Conditions	Yield
With tin(ll) chloride In nitromethane at 40℃; for 0.166667h;	98%

: 128-39-2
2,6-di-tert-butylphenol

: 5472-13-9
2-methylbenzhydrol

: 2,6-di-tert-butyl-4-(phenyl(o-tolyl)methyl)phenol

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate In 1,2-dichloro-ethane at 60℃; for 4h; Green chemistry;	98%
With sulfuric acid In dichloromethane at 0 - 25℃; for 0.333333h; Inert atmosphere; Schlenk technique;

: 128-39-2
2,6-di-tert-butylphenol

: 65628-41-3
3-benzothienyl(phenyl)methanol

: C29H32OS

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate In 1,2-dichloro-ethane at 60℃; for 8h;	98%
With tris(pentafluorophenyl)borate In 1,2-dichloro-ethane at 60℃; for 4h; Green chemistry;	89%

: 4-cyano-2-pyrrolidinylbenzaldehyde

: 920-66-1
1,1,1,3',3',3'-hexafluoro-propanol

: 128-39-2
2,6-di-tert-butylphenol

: C26H32N2O

Conditions

Conditions	Yield
Stage #1: 4-cyano-2-pyrrolidinylbenzaldehyde; 2,6-di-tert-butylphenol With piperidine In toluene at 120℃; for 12h; Stage #2: 1,1,1,3',3',3'-hexafluoro-propanol In ethanol at 25℃; for 0.833333h;	98%

...Expand

2,6-Di-tert-Butylphenol Consensus Reports

Reported in EPA TSCA Inventory.

2,6-Di-tert-Butylphenol Specification

The 2,6-Di-tert-butylphenol, with the cas registry number 128-39-2, is a kind of white solid. This is insoluble in water and is incompatible with acid chlorides, acid anhydrides, bases, brass, copper, copper alloys, oxidizing agents. Besides, its product categories are various, including industrial/fine chemicals; organic building blocks; oxygen compounds; phenols.

The characteristics of this chemical are as follows: (1)ACD/LogP: 4.86; (2)ACD/LogD (pH 5.5): 4.86; (3)ACD/LogD (pH 7.4): 4.86; (4)ACD/BCF (pH 5.5): 2900.97; (5)ACD/BCF (pH 7.4): 2900.92; (6)ACD/KOC (pH 5.5): 10473.31; (7)ACD/KOC (pH 7.4): 10473.13; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23; (12)Index of Refraction: 1.498; (13)Molar Refractivity: 64.9 cm³; (14)Molar Volume: 221.2 cm³; (15)Polarizability: 25.73 ×10^-24 cm³; (16)Surface Tension: 30.1 dyne/cm; (17)Density: 0.932 g/cm³; (18)Flash Point: 118.3 °C; (19)Enthalpy of Vaporization: 50.84 kJ/mol; (20)Boiling Point: 251.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0129 mmHg at 25°C; (22)Exact Mass: 206.167065; (23)MonoIsotopic Mass: 206.167065; (24)Topological Polar Surface Area: 20.2; (25)Heavy Atom Count: 15; (26)Complexity: 184.

The production method of 2,6-Di-tert-butylphenol is below: It is prepared by the reaction of phenol with isobutene catalysed by aluminium phenoxide: C6H5OH + 2 CH2=C(CH3)2 → ((CH3)3C)2C6H3OH.

Use of 2,6-Di-tert-butylphenol is as follows: 2,6-Di-tert-butylphenol reacts with 6-chloro-nicotinonitrile to produce 5-cyano-2-(3',5'-di-tert-butyl-4'-hydroxyphenyl)pyridine, with the following condition: reagent: potassium tert-butoxide, phthalonitrile; solution: liquid ammonia; reaction temp.: -38 ℃; yield: 77%; other condition: electrosynthesis: cathode - platinum grid, 10 cm%2&, 1024 mesh/cm%2&; anode - magnesium rod, h = 8 cm, $F = 1 cm; constant current density 0,5 A dm%-2&, KBr as supporting electrolyte.

As to its usage, it is widely applied in many ways. It could be used in producing antioxygen 2,6-ditertbutylp-cresol, rubber antioxidant, CF Cresol-formaldehyde and plasticizer, and as the disinfectant in pharmaceutics and then also in producing dyes. Besides, it could also be used as surface active agent.

While dealing with this chemical, you should be very cautious. For being a kind of harmful chemical, it may cause damage to health. If swallowed, it will be dangerous. Besides, it is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment, and then it may present an immediate or delayed danger to one or more components of the environment. Therefore, you should take the following instructions. Wear suitable protective clothing. Avoid releasing to the environment and refer to special instructions/safety data sheet. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. What's more, do not empty into drains.

In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:Oc1c(cccc1C(C)(C)C)C(C)(C)C
(2)InChI:InChI=1/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
(3)InChIKey:DKCPKDPYUFEZCP-UHFFFAOYAK

Product Name

2,6-Di-tert-butylphenol

Synthetic route

2,6-Di-tert-Butylphenol Consensus Reports

2,6-Di-tert-Butylphenol Specification

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